data_2l7n_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l7n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1049 ' ' GLU . . . . . 0.419 ' HB2' ' CA ' ' A' 1118 ' ' GLY . 61.8 mm-40 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.791 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 53.8 mtt -65.6 -44.44 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.62 -40.06 94.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.259 0.552 . . . . 0.0 110.162 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 22.1 m -64.93 -39.21 93.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.655 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.95 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.732 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.34 -43.94 83.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.9 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 38.8 m -57.78 -41.32 81.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1060 ' ' LEU . 60.5 t -61.58 -46.45 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.615 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.3 t -65.84 -38.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' 1061 ' ' GLU . 98.5 mt-30 -67.78 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 177.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -76.62 -27.93 55.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.381 172.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.663 HD23 ' HG2' ' A' 1129 ' ' ARG . 78.9 mt -69.25 -43.88 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' 1065 ' ' GLN . 1.5 pt-20 -59.98 -43.84 94.86 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.278 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -71.92 -26.18 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.07 -49.76 73.23 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' 1132 ' ' ALA . 14.4 mt -75.0 -21.44 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1061 ' ' GLU . 13.0 mm100 -57.44 -46.62 83.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.037 0.446 . . . . 0.0 110.367 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.42 -36.65 84.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.136 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' 1064 ' ' LEU . 81.4 mt -71.72 -37.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.384 -177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 56.8 mttm -55.68 -51.79 66.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.462 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.74 94.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.553 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1070 ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' 1075 ' ' LYS . . . -63.43 -46.29 87.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.151 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.641 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -42.94 94.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.1 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.986 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.19 29.78 2.9 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.936 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1075 ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' 1070 ' ' ALA . 60.2 mttp -90.09 -84.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' 1140 ' ' ALA . 24.2 mt . . . . . 0 CA--C 1.533 0.291 0 O-C-N 123.509 0.506 . . . . 0.0 112.278 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 51.2 ttm -59.15 -34.22 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.294 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.13 -38.14 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.686 0.279 . . . . 0.0 110.85 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -77.22 -40.38 45.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.744 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.0 m -65.4 -41.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.105 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1088 ' ' THR . . . . . 0.477 HG23 HD11 ' A' 1203 ' ' LEU . 24.8 p -71.33 -33.31 69.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -67.71 -45.11 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.077 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.7 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.73 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.687 HD21 HD12 ' A' 1203 ' ' LEU . 21.4 tp -59.06 -45.64 90.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.574 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.451 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -61.54 -42.1 99.7 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.924 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.29 -42.24 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.527 0.203 . . . . 0.0 110.681 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 43.2 m -58.14 -41.26 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.969 0.414 . . . . 0.0 110.158 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.921 HG22 ' HB3' ' A' 1196 ' ' LEU . 81.3 m -56.82 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.823 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1092 ' ' GLY . 61.9 mttm -65.38 -33.33 75.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.23 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.405 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.5 p -71.24 -23.56 23.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.969 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 70.4 m -64.93 -33.23 75.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.181 0.515 . . . . 0.0 110.189 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.37 -32.9 60.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.734 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.55 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.665 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.419 ' O ' HD22 ' A' 1106 ' ' LEU . 38.6 pt -64.41 -30.69 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.925 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.77 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.147 0.498 . . . . 0.0 110.57 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -75.1 -32.48 61.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.407 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.16 -38.08 69.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 110.517 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' 1189 ' ' ALA . 4.6 mm? . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 CA--C 1.515 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.791 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -51.17 -43.12 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.065 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1118 ' ' GLY . . . . . 0.419 ' CA ' ' HB2' ' A' 1049 ' ' GLU . . . -75.6 -40.74 31.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.233 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.79 -42.17 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.339 . . . . 0.0 111.009 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.91 74.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.662 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.74 76.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.164 0.507 . . . . 0.0 110.403 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -71.79 -36.26 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.182 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.68 -40.3 80.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.301 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.739 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -63.65 -43.84 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.616 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.53 84.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.832 0.348 . . . . 0.0 110.993 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.23 -42.07 99.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.391 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1127 ' ' GLY . . . . . 0.459 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -64.43 -38.2 95.48 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.952 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' 1124 ' ' VAL . 63.6 mt -68.81 -35.67 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.556 0.217 . . . . 0.0 110.961 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.663 ' HG2' HD23 ' A' 1060 ' ' LEU . 33.6 mtp180 -61.84 -51.29 68.82 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.197 0.523 . . . . 0.0 110.0 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.5 t -57.88 -40.42 80.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.296 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.464 HD23 HD12 ' A' 1091 ' ' LEU . 1.7 tm? -59.97 -56.27 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.952 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.593 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -60.4 -41.71 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.935 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.5 -37.66 87.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.595 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.76 68.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.663 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.97 85.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.481 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.457 ' HA ' HD21 ' A' 1152 ' ' LEU . 35.2 ptt180 -67.95 -25.57 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.627 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.466 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.4 -45.13 70.57 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 55.9 t -54.63 -46.45 72.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1140 ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.19 -26.76 56.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.459 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.4 mt -80.8 -36.87 31.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.348 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.9 t -80.77 150.43 29.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.196 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 32.2 p -109.7 4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.736 0.303 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -85.87 112.95 48.76 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.55 67.05 5.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.096 2.53 . . . . 0.0 111.931 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.43 -55.48 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.207 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' 1151 ' ' VAL . 29.8 m -69.4 -27.25 33.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.52 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.648 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.3 mt-30 -57.38 -46.04 83.82 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 177.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.74 62.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -38.65 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.511 -175.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' 1147 ' ' VAL . 3.8 p -71.15 -33.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -78.15 -41.59 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.266 0.555 . . . . 0.0 110.207 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.7 -45.31 85.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.297 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.547 ' O ' HG22 ' A' 1158 ' ' VAL . 9.4 p -64.3 -42.64 96.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.848 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.84 81.41 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.09 0.471 . . . . 0.0 110.788 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.3 m -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.9 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.257 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' 1154 ' ' THR . 99.1 t -58.46 -59.23 3.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -64.81 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.489 ' N ' HD12 ' A' 1159 ' ' LEU . 13.3 t70 -57.23 -53.43 58.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.493 0.663 . . . . 0.0 110.265 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -34.95 72.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.27 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -64.33 -28.37 69.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.112 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.578 ' O ' ' HG3' ' A' 1167 ' ' GLU . 53.8 m -61.17 -54.05 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 50.9 m -68.86 -23.47 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.215 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' 1162 ' ' ALA . 45.2 tp -59.57 -46.96 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 67.9 mt -73.5 -39.15 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.982 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' 1163 ' ' SER . 47.2 mt-10 -56.31 -50.71 70.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.496 ' HA ' ' HD3' ' A' 1171 ' ' LYS . 7.1 tp10 -60.86 -43.58 98.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.36 92.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.069 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.56 -46.03 73.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' 1168 ' ' GLU . 30.9 mtpt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.396 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.169 0.509 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.429 ' HA ' ' NE2' ' A' 1187 ' ' GLN . 28.0 mtm-85 -71.68 -35.2 70.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.571 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' 1168 ' ' GLU . 15.7 tp -61.43 -41.32 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.662 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.39 94.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.843 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' 1184 ' ' ARG . 48.0 mt-30 -63.81 -47.99 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' 1192 ' ' VAL . 11.1 p -71.48 -29.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.686 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' 1106 ' ' LEU . . . -61.46 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.163 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -67.99 -32.45 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.792 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.31 83.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' 1188 ' ' VAL . 61.3 t -63.91 -43.89 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.743 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 16.8 m -60.63 -42.32 96.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.899 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1194 ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' 1190 ' ' LYS . 27.2 mm-40 -63.4 -41.74 98.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.82 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.921 ' HB3' HG22 ' A' 1095 ' ' THR . 84.5 mt -57.55 -49.25 76.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.6 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.58 -29.76 70.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.793 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -75.49 -31.13 60.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.8 t -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 24.0 m -67.02 -24.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.93 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.0 t -78.37 -38.27 42.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -80.1 -1.74 41.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.687 HD12 HD21 ' A' 1091 ' ' LEU . 93.8 mt -59.44 138.63 89.09 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.46 -0.441 0 C-N-CA 122.488 2.125 . . . . 0.0 111.976 178.406 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.807 0.337 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.527 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 20.1 mtt -71.26 -44.41 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.136 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -72.45 -31.96 65.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.401 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 24.0 m -62.69 -46.14 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.57 96.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' 1057 ' ' VAL . 48.6 tp -60.54 -39.37 87.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.727 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -44.84 95.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.484 ' O ' ' HG ' ' A' 1060 ' ' LEU . 82.9 t -67.86 -45.83 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.236 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.1 p -63.25 -33.09 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.035 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.516 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 72.1 mt-30 -67.58 -39.01 84.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.682 0.277 . . . . 0.0 110.671 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -63.39 -45.99 88.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' 1057 ' ' VAL . 80.1 mt -57.95 -49.59 76.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.272 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.578 ' CB ' HD13 ' A' 1159 ' ' LEU . 12.2 pt-20 -66.45 -38.6 87.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -176.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.95 -33.7 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.049 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' 1067 ' ' ILE . 0.6 OUTLIER -58.88 -48.46 81.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.096 0.474 . . . . 0.0 109.775 172.693 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.498 HD23 HD11 ' A' 1067 ' ' ILE . 77.2 mt -64.07 -27.86 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.29 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' 1061 ' ' GLU . 81.0 mt-30 -66.51 -40.65 89.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.101 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.44 -43.46 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.938 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.618 HG23 HD12 ' A' 1152 ' ' LEU . 61.9 mt -65.32 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.64 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 36.4 ttmt -61.78 -41.28 97.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 110.313 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.85 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.421 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.93 91.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.82 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.256 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' 1072 ' ' ARG . 8.1 tpp180 -57.79 -52.22 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.48 -27.64 56.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.68 45.71 2.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -119.07 23.02 11.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.735 0.302 . . . . 0.0 110.748 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.369 177.686 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1083 ' ' THR . . . . . 0.429 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 44.7 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -67.47 -30.83 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.429 ' OE1' ' HB ' ' A' 1083 ' ' THR . 3.3 mp0 -57.76 -53.14 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 40.3 tptt -53.75 -52.33 60.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.641 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' 1091 ' ' LEU . 72.6 m -59.38 -54.3 48.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.981 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.1 p -67.28 -38.59 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -70.84 -48.25 55.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.76 -29.66 67.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.641 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.812 HD23 HD12 ' A' 1203 ' ' LEU . 17.4 tp -60.47 -49.48 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.918 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.03 -37.23 94.09 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.4 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.62 -38.7 77.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.664 0.269 . . . . 0.0 110.91 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.452 ' O ' HG13 ' A' 1098 ' ' VAL . 51.1 m -68.12 -33.33 74.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 174.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.888 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.1 m -58.56 -57.39 13.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.026 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -62.65 -38.27 89.64 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.19 -58.33 8.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.283 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.554 HG22 ' HA ' ' A' 1124 ' ' VAL . 14.3 p -73.67 -23.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.15 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 34.8 t -63.85 -38.73 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 0.0 110.275 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 34.5 t -75.05 -28.15 60.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.454 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -71.24 -46.02 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.519 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' 1189 ' ' ALA . 13.1 pt -65.44 -28.45 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -68.27 -31.71 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.329 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 54.3 mtmt -75.74 -26.22 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.812 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.412 HD11 HG11 ' A' 1124 ' ' VAL . 71.6 mt -68.07 -25.64 65.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.624 HD23 HD12 ' A' 1185 ' ' LEU . 97.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.624 0.25 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.527 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -53.28 -46.39 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.202 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -74.7 -40.73 36.84 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.067 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.93 -44.67 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.854 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.05 62.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.324 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.49 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -75.33 -33.73 61.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.197 0.522 . . . . 0.0 109.796 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -70.77 -43.37 68.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.78 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.646 ' O ' ' HG ' ' A' 1128 ' ' LEU . 26.4 m -62.98 -42.04 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.686 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.94 77.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.657 0.265 . . . . 0.0 110.856 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.88 98.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.385 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.69 68.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' 1124 ' ' VAL . 70.9 mt -65.7 -40.56 92.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.52 0.2 . . . . 0.0 111.39 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' 1133 ' ' GLN . 14.4 ptm180 -69.69 -36.13 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.669 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 17.4 m -70.24 -36.12 74.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.015 0.435 . . . . 0.0 110.064 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.518 HD12 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -56.21 -49.02 75.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.465 175.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.486 ' HB3' HD21 ' A' 1064 ' ' LEU . . . -60.33 -44.31 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.618 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.5 mt-30 -58.81 -49.47 77.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.608 -177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.532 ' HB3' HD13 ' A' 1091 ' ' LEU . . . -65.47 -38.3 89.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.478 -176.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.94 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.007 0.432 . . . . 0.0 111.199 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.3 mtp180 -60.75 -40.04 90.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.542 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.93 -48.9 71.65 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.074 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1138 ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' 1151 ' ' VAL . 97.7 t -53.1 -49.95 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.22 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.64 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.721 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.88 -26.37 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.426 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 1137 ' ' GLY . 88.5 mt -84.11 -42.28 16.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.41 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.446 HG21 HG22 ' A' 1147 ' ' VAL . 10.2 t -71.24 145.75 49.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.754 -176.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 11.7 t -104.35 3.38 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.7 t70 -89.23 112.17 49.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.783 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -73.33 66.97 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.816 2.344 . . . . 0.0 111.84 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.74 -56.02 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.085 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.535 ' O ' HG11 ' A' 1151 ' ' VAL . 24.5 m -66.52 -25.64 35.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.602 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.8 mt-30 -54.36 -49.36 69.99 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.411 0.624 . . . . 0.0 110.479 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.37 59.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.523 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -40.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.522 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' 1147 ' ' VAL . 3.8 p -67.63 -34.35 67.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.05 0.452 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.618 HD12 HG23 ' A' 1067 ' ' ILE . 40.2 mt -77.86 -43.34 30.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.233 0.539 . . . . 0.0 110.33 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1153 ' ' ASP . . . . . 0.653 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 25.9 t70 -61.59 -41.29 97.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.051 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.511 ' O ' HG22 ' A' 1158 ' ' VAL . 18.0 p -66.05 -46.98 75.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.02 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.07 99.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.968 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1156 ' ' SER . . . . . 0.744 ' HA ' HD11 ' A' 1159 ' ' LEU . 23.3 t -66.99 -24.51 66.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.313 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.456 ' O ' ' HD2' ' A' 1161 ' ' LYS . 30.4 t70 -78.35 -31.06 48.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' 1154 ' ' THR . 92.1 t -63.05 -62.36 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.081 0.467 . . . . 0.0 111.14 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' 1156 ' ' SER . 0.2 OUTLIER -65.78 -28.32 68.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.303 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.01 -53.04 13.36 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.29 0.566 . . . . 0.0 111.054 173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' 1157 ' ' ASP . 7.2 mttp -77.52 -26.68 51.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.177 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -64.86 -35.76 82.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 54.0 m -61.34 -49.62 76.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 4.1 p -69.85 -26.6 64.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.583 0.23 . . . . 0.0 110.885 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.752 ' HG ' HG11 ' A' 1188 ' ' VAL . 2.6 tt -61.28 -52.29 65.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.98 -41.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.924 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' 1171 ' ' LYS . 45.5 mt-10 -59.68 -53.9 52.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.919 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.96 -31.25 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.005 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.85 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.77 -38.41 91.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.163 0.506 . . . . 0.0 109.643 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' 1167 ' ' GLU . 5.6 mptp? . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.067 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -54.14 -50.36 67.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.77 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.624 HD12 HD23 ' A' 1106 ' ' LEU . 0.2 OUTLIER -62.93 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.418 -177.554 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.16 -50.3 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.613 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.752 HG11 ' HG ' ' A' 1165 ' ' LEU . 10.3 p -65.16 -32.15 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.593 0.235 . . . . 0.0 111.258 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' 1165 ' ' LEU . . . -65.63 -48.24 72.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.627 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -73.17 -23.1 60.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.74 95.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 109.983 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' 1188 ' ' VAL . 60.9 t -65.64 -37.9 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.054 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 6.9 m -59.18 -46.43 88.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.678 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -70.95 -31.31 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.48 90.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.009 0.433 . . . . 0.0 110.008 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.888 ' HB3' HG23 ' A' 1095 ' ' THR . 70.5 mt -56.77 -50.77 71.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.243 174.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.15 -42.75 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.34 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -60.9 -37.33 81.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.6 t -72.93 -47.42 45.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.296 0.57 . . . . 0.0 110.114 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 20.6 m -68.45 -21.38 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.905 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -37.9 52.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 25.7 p -83.14 -1.33 52.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.699 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.812 HD12 HD23 ' A' 1091 ' ' LEU . 72.3 mt -62.4 130.09 92.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 N--CA 1.458 -0.599 0 C-N-CA 122.46 2.106 . . . . 0.0 111.103 172.346 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.578 ' HE1' ' HB2' ' A' 1117 ' ' ALA . 41.6 mtt -63.13 -36.37 83.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.288 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1052 ' ' SER . . . . . 0.465 ' O ' HG22 ' A' 1056 ' ' VAL . 23.3 m -64.81 -47.2 78.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.994 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' 1057 ' ' VAL . . . -57.21 -41.38 79.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.304 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 27.0 t -62.9 -37.27 86.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' 1052 ' ' SER . 93.8 t -58.86 -49.48 82.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.309 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' 1053 ' ' ALA . 59.2 t -55.64 -43.08 71.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 110.534 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 78.5 mt-30 -61.92 -27.9 69.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.635 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -67.13 -48.76 67.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.247 -0.283 . . . . 0.0 110.556 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.668 HD13 ' HB3' ' A' 1132 ' ' ALA . 3.7 mm? -62.67 -43.99 97.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.564 ' HB3' HD13 ' A' 1159 ' ' LEU . 11.5 pt-20 -60.36 -40.48 90.89 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.181 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' 1058 ' ' GLN . 57.2 mttm -72.57 -33.31 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.419 . . . . 0.0 110.525 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.88 -50.89 70.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.841 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.624 HD23 ' HB1' ' A' 1132 ' ' ALA . 14.5 mt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.087 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' 1061 ' ' GLU . 72.1 mt-30 -61.89 -31.25 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.805 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.453 HG21 HD21 ' A' 1076 ' ' LEU . 2.7 mp -65.86 -36.36 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -58.99 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.12 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.16 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.953 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' 1076 ' ' LEU . . . -69.17 -35.28 76.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 0.0 110.812 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -66.04 -47.01 75.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 39.0 t70 -77.81 -35.81 50.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.995 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 104.18 44.3 1.63 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.54 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -122.25 17.38 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.248 0.219 . . . . 0.0 111.269 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.535 HD11 ' HB1' ' A' 1071 ' ' ALA . 20.2 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.977 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1084 ' ' MET . . . . . 0.603 ' HE2' ' HB2' ' A' 1141 ' ' LEU . 55.4 tpp -68.1 -35.62 78.45 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.05 -40.2 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.781 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 74.0 tttt -70.69 -55.47 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.547 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' 1091 ' ' LEU . 77.6 m -53.7 -46.37 70.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.523 -172.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 20.6 p -67.64 -45.69 74.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.823 0.344 . . . . 0.0 111.498 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -70.61 -41.9 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.09 -34.17 75.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.778 HD23 HD12 ' A' 1203 ' ' LEU . 14.1 tp -60.19 -43.91 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.43 -36.38 92.54 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.068 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1093 ' ' ASN . . . . . 0.502 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.0 m-20 -70.72 -38.23 73.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.709 -0.289 . . . . 0.0 110.524 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.416 ' O ' HG12 ' A' 1098 ' ' VAL . 31.7 m -64.0 -38.73 92.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 109.888 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.822 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.5 m -56.61 -56.33 22.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.24 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.527 ' HZ3' ' HB3' ' A' 1096 ' ' LYS . 0.1 OUTLIER -67.18 -34.87 78.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.0 -55.76 28.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.062 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.602 HG22 HD23 ' A' 1128 ' ' LEU . 13.6 p -75.71 -22.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.4 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.148 0.499 . . . . 0.0 109.823 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 31.8 m -73.51 -24.4 60.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.394 0.616 . . . . 0.0 110.246 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -72.89 -49.22 31.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.449 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.2 pt -65.46 -23.18 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.36 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.803 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.13 -28.55 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.782 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.32 -37.58 68.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.526 HD22 HD11 ' A' 1185 ' ' LEU . 97.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.682 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.694 0.283 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.578 ' HB2' ' HE1' ' A' 1050 ' ' MET . . . -60.03 -43.87 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -67.25 -49.26 53.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.292 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.59 -46.23 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.649 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -67.43 -30.66 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -71.07 -35.11 71.76 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.002 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.82 -36.96 56.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.175 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.689 ' O ' ' HG ' ' A' 1128 ' ' LEU . 31.6 m -65.75 -39.9 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.788 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.01 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.007 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.64 -37.59 94.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.519 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1127 ' ' GLY . . . . . 0.454 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -76.3 -38.55 33.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.246 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' 1124 ' ' VAL . 61.2 mt -68.45 -40.5 81.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.258 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.502 ' HA ' ' HG ' ' A' 1060 ' ' LEU . 40.0 ptt180 -66.71 -31.46 72.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.416 . . . . 0.0 110.494 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 31.5 t -75.52 -38.9 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.923 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.402 HD22 HD11 ' A' 1091 ' ' LEU . 1.2 tm? -58.35 -52.74 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.27 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.668 ' HB3' HD13 ' A' 1060 ' ' LEU . . . -60.81 -38.67 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.322 -175.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -64.04 -46.64 83.51 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.404 ' HB2' HD12 ' A' 1091 ' ' LEU . . . -64.39 -33.09 75.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.536 -175.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.48 -32.92 74.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.7 mtm180 -65.77 -40.44 92.02 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.388 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.654 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -50.93 58.51 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.684 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 93.6 t -50.72 -48.48 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.727 0.298 . . . . 0.0 111.379 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1139 ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -59.63 -46.01 90.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.879 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.07 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.874 0.369 . . . . 0.0 111.451 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1137 ' ' GLY . 47.6 mt -81.13 -36.55 30.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.678 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.489 HG21 HG22 ' A' 1147 ' ' VAL . 15.2 t -69.35 -29.51 67.33 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.552 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 27.5 t 73.07 -39.98 0.46 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 174.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.3 118.12 19.98 Favored Pre-proline 0 N--CA 1.466 0.351 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.81 66.91 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.979 2.453 . . . . 0.0 111.778 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.45 -55.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.707 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.489 HG22 HG21 ' A' 1142 ' ' THR . 27.0 m -67.88 -27.2 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.302 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.647 ' O ' ' HG ' ' A' 1152 ' ' LEU . 95.2 mt-30 -57.4 -46.23 83.7 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 172.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.23 -34.59 75.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -40.77 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.685 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' 1147 ' ' VAL . 4.9 p -67.06 -37.72 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' 1148 ' ' GLN . 29.4 mt -75.86 -42.21 50.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 110.172 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.61 -44.17 96.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.442 ' O ' HG23 ' A' 1158 ' ' VAL . 17.5 p -67.41 -40.55 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.599 0.238 . . . . 0.0 110.853 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.67 84.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.048 0.452 . . . . 0.0 110.524 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1156 ' ' SER . . . . . 0.485 ' HA ' ' HG ' ' A' 1159 ' ' LEU . 26.2 t -66.54 -43.23 85.67 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 176.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' 1161 ' ' LYS . 24.8 t70 -56.25 -32.91 64.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 110.008 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1154 ' ' THR . 97.8 t -61.37 -56.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.633 174.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -71.37 -30.96 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.673 -175.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.486 ' N ' HD12 ' A' 1159 ' ' LEU . 8.5 m-20 -58.38 -48.41 80.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.115 0.483 . . . . 0.0 110.048 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' 1157 ' ' ASP . 4.8 mptp? -75.69 -34.44 60.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.683 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -60.55 -37.0 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.682 177.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' 1167 ' ' GLU . 22.7 t -59.24 -54.51 46.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.555 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.3 t -64.02 -29.77 70.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.779 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.716 ' HG ' HG11 ' A' 1188 ' ' VAL . 1.3 tt -61.76 -50.51 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 177.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 74.9 mt -72.13 -39.34 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.055 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.4 mt-10 -63.77 -41.43 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.652 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.618 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 20.6 tp10 -64.22 -44.96 90.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.281 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.63 75.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -56.48 -39.28 72.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.618 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 42.3 mtmt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.385 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.459 0.171 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' 1168 ' ' GLU . 36.8 mtt180 -64.68 -42.5 95.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.526 HD11 HD22 ' A' 1106 ' ' LEU . 0.3 OUTLIER -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.022 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.65 93.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -61.5 -47.07 87.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.515 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.716 HG11 ' HG ' ' A' 1165 ' ' LEU . 11.6 p -74.25 -34.04 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -174.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.05 90.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.413 0.625 . . . . 0.0 109.762 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 52.6 tttp -62.88 -40.51 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.047 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.98 92.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.071 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.712 HG23 HD13 ' A' 1165 ' ' LEU . 61.8 t -60.01 -39.7 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.439 . . . . 0.0 110.152 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -43.0 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.592 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.93 -38.89 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.848 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.702 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.822 ' HB3' HG23 ' A' 1095 ' ' THR . 69.0 mt -53.98 -51.19 64.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.493 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' 1200 ' ' VAL . 0.7 OUTLIER -55.56 -51.34 67.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.477 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.53 -23.69 64.56 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.195 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 16.7 t -73.5 -47.93 37.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' 1197 ' ' ASN . 11.2 m -69.79 -23.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.073 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.1 -31.31 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.283 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.6 p -86.25 -1.84 57.84 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 122.226 -0.296 . . . . 0.0 111.398 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.778 HD12 HD23 ' A' 1091 ' ' LEU . 89.9 mt -70.08 134.07 87.61 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 C-N-CA 122.593 2.195 . . . . 0.0 110.181 166.737 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.87 0.367 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.66 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 52.6 mtt -54.6 -57.06 12.9 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.004 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.92 -30.5 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.564 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 40.2 t -62.26 -51.28 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.21 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' 1125 ' ' ALA . . . -64.09 -40.37 96.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.288 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.485 ' HB2' HG21 ' A' 1166 ' ' ILE . 65.0 tp -54.53 -42.65 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.346 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.9 t -56.66 -43.12 80.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.321 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.541 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.1 t -67.11 -47.17 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.303 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' 1053 ' ' ALA . 59.2 t -56.04 -42.67 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.03 -36.68 75.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.589 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -76.1 -33.5 59.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.82 0.343 . . . . 0.0 110.373 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.6 mt -64.64 -44.31 90.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.288 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.517 ' N ' HD11 ' A' 1159 ' ' LEU . 6.5 pt-20 -66.4 -39.75 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 91.2 mttt -67.71 -34.89 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.051 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.7 -45.99 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.971 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' 1132 ' ' ALA . 19.1 mt -68.61 -32.12 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.037 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.03 -39.32 91.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.287 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.37 -41.86 98.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.567 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.473 HG22 HD12 ' A' 1076 ' ' LEU . 74.9 mt -67.9 -30.45 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.3 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' 1152 ' ' LEU . 49.1 mtmt -61.31 -35.15 76.59 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.933 0.396 . . . . 0.0 110.388 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.48 63.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.82 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.228 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -66.15 -35.94 81.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -65.5 -44.79 85.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.654 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -8.86 58.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 75.84 34.66 47.59 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.733 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -100.18 -19.54 16.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' A' 1140 ' ' ALA . 60.7 tp . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.026 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1083 ' ' THR . . . . . 0.445 ' HG1' ' CD ' ' A' 1085 ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.632 0.253 . . . . 0.0 111.441 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1084 ' ' MET . . . . . 0.421 ' N ' HD12 ' A' 1141 ' ' LEU . 51.5 ttm -63.5 -32.7 74.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.445 ' CD ' ' HG1' ' A' 1083 ' ' THR . 0.0 OUTLIER -67.81 -27.4 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.152 -178.02 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.93 -56.09 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.314 172.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 64.8 m -62.74 -30.86 71.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.841 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1088 ' ' THR . . . . . 0.518 HG23 HD11 ' A' 1203 ' ' LEU . 15.3 p -69.16 -33.49 73.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.706 0.288 . . . . 0.0 110.907 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -73.88 -39.48 63.89 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.0 -40.8 81.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.118 0.485 . . . . 0.0 109.977 174.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.497 HD22 HD12 ' A' 1203 ' ' LEU . 14.1 tp -61.97 -54.08 46.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.123 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.56 91.06 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.652 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.958 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.515 ' O ' HG13 ' A' 1098 ' ' VAL . 16.3 m -65.04 -38.71 91.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.052 0.453 . . . . 0.0 109.877 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.845 HG21 ' HB3' ' A' 1196 ' ' LEU . 93.4 m -58.75 -57.02 14.88 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.261 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -61.94 -35.95 79.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.01 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.809 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' 1094 ' ' SER . 8.9 p -70.32 -29.97 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.415 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 10.3 t -61.52 -41.64 97.63 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.227 0.536 . . . . 0.0 109.906 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 39.2 t -70.9 -32.33 69.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.346 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.79 67.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' 1106 ' ' LEU . 28.1 pt -63.26 -27.14 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.117 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.749 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' 1104 ' ' LYS . 23.2 ttmm -74.99 -24.5 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.59 HD21 ' HE2' ' A' 1050 ' ' MET . 82.9 mt -68.32 -38.8 81.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' 1189 ' ' ALA . 31.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.28 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.66 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -50.23 -53.46 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.565 0.541 . . . . 0.0 111.995 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.39 -36.6 78.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.413 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.97 -52.6 58.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.722 0.296 . . . . 0.0 111.166 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.2 61.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.392 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' 1050 ' ' MET . . . -70.31 -28.45 65.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.593 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.26 -30.43 57.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 109.702 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.59 -47.35 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.682 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.2 m -59.09 -39.73 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.682 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' 1053 ' ' ALA . . . -59.15 -45.82 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.58 -42.43 98.83 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.167 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.79 -46.33 89.98 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.311 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.7 mt -67.05 -42.31 85.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -66.27 -30.6 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.55 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 18.2 m -78.11 -39.05 42.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -49.05 76.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.847 ' HB3' HD22 ' A' 1064 ' ' LEU . . . -57.35 -48.41 79.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.669 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 49.1 mt-30 -70.7 -35.8 72.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.408 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.75 91.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.12 93.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.643 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 1132 ' ' ALA . 47.5 mtp180 -54.8 -50.13 69.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -55.94 -50.24 62.48 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.975 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 79.8 t -55.5 -47.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.662 0.267 . . . . 0.0 111.353 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1139 ' ' ALA . . . . . 0.435 ' HB1' ' CG1' ' A' 1151 ' ' VAL . . . -67.17 -38.82 86.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.038 0.447 . . . . 0.0 111.368 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1140 ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' A' 1076 ' ' LEU . . . -71.31 -25.86 62.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.61 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' 1084 ' ' MET . 38.2 mt -84.09 -30.75 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.783 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 8.3 t -82.58 155.77 24.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 31.9 p -113.26 4.01 16.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 0.0 110.902 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.53 113.53 49.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -76.2 66.52 7.02 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.471 2.114 . . . . 0.0 112.142 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.45 -56.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.074 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' 1151 ' ' VAL . 18.4 m -64.39 -30.72 50.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.728 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.624 ' O ' ' HG ' ' A' 1152 ' ' LEU . 46.0 mt-30 -53.31 -52.46 59.06 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.129 0.49 . . . . 0.0 110.877 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.4 66.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -40.96 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.791 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -69.58 -36.36 70.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' 1148 ' ' GLN . 38.6 mt -75.38 -42.91 52.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.416 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.0 -41.47 98.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.104 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.592 HG22 ' HE ' ' A' 1198 ' ' ARG . 23.1 p -68.81 -43.99 74.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.524 177.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.52 92.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.701 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1156 ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 10.8 t -68.57 -26.61 65.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.199 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.58 -32.18 60.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' 1154 ' ' THR . 96.8 t -55.93 -57.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.251 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.517 HD11 ' N ' ' A' 1061 ' ' GLU . 2.1 pt? -77.73 -28.67 50.87 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.109 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -50.07 -44.74 51.97 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.2 0.524 . . . . 0.0 110.627 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.4 mptt -76.46 -28.64 56.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.588 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' 1166 ' ' ILE . . . -69.71 -32.17 70.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.368 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' 1167 ' ' GLU . 43.1 m -59.34 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.151 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 3.7 p -72.55 -22.52 61.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.877 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.829 ' HG ' HG11 ' A' 1188 ' ' VAL . 2.5 tt -63.58 -50.86 67.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.485 HG21 ' HB2' ' A' 1054 ' ' LEU . 65.5 mt -68.07 -40.53 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.662 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.437 ' HG2' HD23 ' A' 1054 ' ' LEU . 32.1 mt-10 -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 110.932 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.25 -47.85 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1169 ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' 1185 ' ' LEU . . . -64.09 -31.59 72.83 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -59.88 -42.07 92.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.074 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.0 mtmm . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.573 178.359 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' 1187 ' ' GLN . 59.3 mt-30 . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.502 ' HD2' ' OE1' ' A' 1187 ' ' GLN . 17.5 mmm180 -59.39 -48.31 82.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.786 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' 1106 ' ' LEU . 3.5 mm? -55.22 -45.14 75.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1186 ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' 1190 ' ' LYS . . . -63.96 -40.8 97.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.294 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' 1183 ' ' GLN . 98.1 mt-30 -60.52 -49.83 76.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.096 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.829 HG11 ' HG ' ' A' 1165 ' ' LEU . 14.4 p -76.55 -31.09 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.418 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.706 ' HB2' HD23 ' A' 1106 ' ' LEU . . . -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' 1186 ' ' ALA . 14.5 mmmm -66.87 -29.34 69.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.16 99.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.105 0.479 . . . . 0.0 110.07 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.556 HG21 HD13 ' A' 1165 ' ' LEU . 39.6 t -67.53 -38.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.048 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 22.5 m -60.33 -42.91 96.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.362 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' 1158 ' ' VAL . . . -60.17 -43.47 95.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.949 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.845 ' HB3' HG21 ' A' 1095 ' ' THR . 86.2 mt -56.42 -52.57 64.17 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.938 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.95 -38.71 89.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1198 ' ' ARG . . . . . 0.592 ' HE ' HG22 ' A' 1154 ' ' THR . 22.7 ttt180 -60.43 -37.12 79.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.988 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 21.0 t -74.24 -47.92 32.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.23 0.538 . . . . 0.0 110.101 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 17.8 m -69.3 -23.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.22 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.2 t -78.26 -34.97 48.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.682 0.277 . . . . 0.0 111.076 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -81.44 -1.54 46.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 111.443 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.518 HD11 HG23 ' A' 1088 ' ' THR . 94.8 mt -58.72 138.85 86.46 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.233 0.252 0 C-N-CA 122.854 2.369 . . . . 0.0 112.165 -179.611 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1049 ' ' GLU . . . . . 0.44 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 41.8 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.411 ' HE3' ' HB2' ' A' 1169 ' ' ALA . 52.0 mtt -71.6 -38.92 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.59 -38.66 85.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 110.526 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1052 ' ' SER . . . . . 0.501 ' O ' HG22 ' A' 1056 ' ' VAL . 9.3 m -64.24 -31.64 72.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.806 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.23 41.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.209 0.528 . . . . 0.0 110.419 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -42.96 99.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 14.8 p -61.63 -35.39 77.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' 1052 ' ' SER . 58.5 t -61.86 -51.66 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.419 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' 1159 ' ' LEU . 63.5 t -57.73 -41.4 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.644 ' O ' ' HG3' ' A' 1062 ' ' LYS . 74.3 mt-30 -57.51 -44.27 84.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -73.49 -28.06 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.164 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.4 mt -67.85 -47.96 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.519 ' HB3' HD11 ' A' 1159 ' ' LEU . 11.6 pt-20 -63.96 -40.56 96.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.21 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' 1058 ' ' GLN . 28.2 mtpp -62.11 -36.23 81.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.406 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.453 ' O ' HG13 ' A' 1067 ' ' ILE . 21.8 t0 -64.66 -50.54 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.048 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.66 HD21 ' HB2' ' A' 1132 ' ' ALA . 13.9 mt -65.98 -29.54 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.231 -175.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.1 mt-30 -64.07 -38.43 91.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.96 0.409 . . . . 0.0 110.416 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -71.45 -33.0 68.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.397 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1063 ' ' ASP . 68.8 mt -73.58 -32.02 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.795 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1064 ' ' LEU . 98.3 mttt -60.83 -40.0 91.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 109.761 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.54 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.232 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.15 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.191 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.15 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.007 0.432 . . . . 0.0 110.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -66.23 -38.19 87.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.817 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.97 -52.82 57.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.398 0.618 . . . . 0.0 109.95 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 120.17 11.58 6.78 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.949 -172.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -82.57 -68.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.629 0.252 . . . . 0.0 110.822 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.271 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 120.646 0.26 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.3 ttm -66.02 -38.19 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.074 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.33 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1086 ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' 1086 ' ' LYS . 1.2 tmtp? -70.03 -46.63 64.63 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' 1091 ' ' LEU . 65.0 m -65.38 -44.33 87.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.385 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 28.9 p -64.77 -37.74 88.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.47 -47.26 67.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.331 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.78 -44.42 96.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.776 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.7 HD13 HG12 ' A' 1200 ' ' VAL . 0.3 OUTLIER -53.91 -54.17 42.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.871 177.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.11 95.22 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.087 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1093 ' ' ASN . . . . . 0.545 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 94.9 m-20 -64.88 -35.71 82.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.74 0.27 . . . . 0.0 111.384 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.573 ' O ' HG13 ' A' 1098 ' ' VAL . 50.3 m -75.3 -35.28 61.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.774 0.321 . . . . 0.0 110.173 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.656 HG21 HD12 ' A' 1196 ' ' LEU . 22.9 m -56.31 -56.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.459 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 57.5 pttt -63.6 -35.63 81.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.006 0.432 . . . . 0.0 110.649 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.44 -59.74 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.33 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' 1094 ' ' SER . 6.0 p -68.14 -27.67 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.584 0.23 . . . . 0.0 110.986 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.8 t -65.49 -42.25 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 64.4 m -75.54 -25.83 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.087 0.47 . . . . 0.0 110.564 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.04 -43.39 67.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.21 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.46 ' HA ' HD13 ' A' 1105 ' ' LEU . 16.4 pt -65.87 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 178.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.47 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.047 0.451 . . . . 0.0 110.05 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -75.04 -29.75 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.502 HD11 HD23 ' A' 1165 ' ' LEU . 84.0 mt -64.38 -42.37 96.19 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.905 173.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.826 173.718 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 14.9 m-30 . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.74 -51.81 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.231 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1118 ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -77.6 -43.51 15.03 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.005 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.87 -50.34 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.34 77.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.408 ' HB1' ' HG2' ' A' 1050 ' ' MET . . . -64.06 -37.81 88.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.423 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -64.8 -42.15 95.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.317 0.58 . . . . 0.0 110.316 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.41 -39.87 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.181 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.713 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.3 m -64.37 -44.25 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.457 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.593 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -60.46 -45.89 92.08 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.84 0.353 . . . . 0.0 110.562 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.95 99.77 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.155 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1127 ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' 1131 ' ' LEU . . . -63.12 -39.89 98.53 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.191 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 1124 ' ' VAL . 71.7 mt -70.33 -29.37 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 -176.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' 1125 ' ' ALA . 25.5 mtm180 -62.2 -55.4 28.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.399 0.619 . . . . 0.0 110.04 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 16.5 m -65.38 -34.52 78.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.623 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' 1127 ' ' GLY . 0.5 OUTLIER -55.86 -48.97 74.57 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.587 175.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.66 ' HB2' HD21 ' A' 1064 ' ' LEU . . . -61.33 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.068 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.16 -55.03 23.55 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.579 0.549 . . . . 0.0 112.113 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.79 79.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.14 83.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.287 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.2 mmp_? -67.64 -44.17 78.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.027 0.441 . . . . 0.0 109.879 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.52 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -59.82 -47.29 91.71 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.133 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1138 ' ' VAL . . . . . 0.536 HG21 HD21 ' A' 1203 ' ' LEU . 55.0 t -51.95 -51.69 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.658 0.266 . . . . 0.0 111.276 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.79 74.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.688 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -76.68 -26.48 54.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.419 -178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' 1137 ' ' GLY . 93.9 mt -83.94 -39.46 19.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.435 -177.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.585 HG23 ' HG2' ' A' 1148 ' ' GLN . 7.3 t -79.74 150.76 30.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.97 0.414 . . . . 0.0 110.537 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 20.1 m -109.57 8.34 25.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.716 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' 1148 ' ' GLN . 32.2 t70 -80.53 112.34 30.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.6 Cg_exo -74.95 67.45 5.89 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.894 2.396 . . . . 0.0 111.884 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.04 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.342 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.567 ' O ' HG11 ' A' 1151 ' ' VAL . 33.9 m -69.23 -27.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.131 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.651 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.1 mt-30 -59.77 -52.95 63.27 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 120.754 0.311 . . . . 0.0 111.275 -178.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.86 69.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.183 0.515 . . . . 0.0 110.765 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' 1150 ' ' ILE . 1.4 mm -69.78 -43.86 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.771 -175.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' 1147 ' ' VAL . 3.0 p -66.11 -32.17 56.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.336 0.588 . . . . 0.0 110.868 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -74.79 -43.66 53.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.18 -46.26 87.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.483 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.611 ' O ' HG21 ' A' 1158 ' ' VAL . 8.7 p -58.76 -50.02 75.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.415 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1155 ' ' ALA . . . . . 0.492 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -57.91 -34.08 69.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 111.119 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.96 78.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.19 -32.92 74.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' 1154 ' ' THR . 29.6 t -57.97 -56.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.218 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.4 pp -70.49 -29.47 66.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.918 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.512 ' N ' HD13 ' A' 1159 ' ' LEU . 20.3 t70 -55.14 -49.47 71.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.057 0.456 . . . . 0.0 110.524 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.0 mptt -74.24 -30.95 62.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -64.53 -35.63 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 30.0 t -59.11 -51.86 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.064 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.8 m -63.21 -34.49 77.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.345 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.586 ' HG ' HG11 ' A' 1188 ' ' VAL . 1.6 tt -62.86 -50.64 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.434 ' HA ' ' HE2' ' A' 1170 ' ' LYS . 7.1 mt-10 -69.42 -36.61 76.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.852 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.547 ' HG3' HD22 ' A' 1185 ' ' LEU . 7.7 tp10 -61.8 -46.97 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1169 ' ' ALA . . . . . 0.411 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -68.05 -30.75 70.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1170 ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' 1167 ' ' GLU . 34.8 ttpt -58.52 -39.74 80.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.138 174.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.4 mtmm . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.502 176.658 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -61.13 -49.54 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.415 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.547 HD22 ' HG3' ' A' 1168 ' ' GLU . 4.4 mm? -62.68 -46.77 86.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.31 85.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 111.558 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -66.64 -52.31 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.48 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.586 HG11 ' HG ' ' A' 1165 ' ' LEU . 11.0 p -69.43 -32.57 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.536 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -64.55 -51.19 64.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.53 -22.59 61.0 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.409 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.91 95.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.758 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.486 HG22 HD13 ' A' 1165 ' ' LEU . 87.9 t -58.74 -44.55 90.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.699 173.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1193 ' ' THR . . . . . 0.643 ' HA ' ' HG ' ' A' 1196 ' ' LEU . 2.4 m -62.07 -43.73 98.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.511 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -63.44 -27.53 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.52 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -76.39 -49.04 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.656 HD12 HG21 ' A' 1095 ' ' THR . 4.3 pp -65.36 -41.9 93.35 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.548 0.689 . . . . 0.0 110.912 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.615 ' N ' HD11 ' A' 1196 ' ' LEU . 0.1 OUTLIER -64.24 -33.2 75.27 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.431 178.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -75.59 -29.5 59.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.159 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1199 ' ' CYS . . . . . 0.444 ' O ' ' HG ' ' A' 1203 ' ' LEU . 10.1 t -65.86 -43.73 87.55 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.19 0.519 . . . . 0.0 109.641 -173.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.7 HG12 HD13 ' A' 1091 ' ' LEU . 31.3 m -67.28 -31.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.343 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 53.7 m -77.38 -21.65 52.89 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.737 0.304 . . . . 0.0 111.578 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 77.3 m -83.2 -18.64 38.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.859 0.361 . . . . 0.0 110.757 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' 1091 ' ' LEU . 84.8 mt -66.05 140.27 96.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.122 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.464 -0.257 0 C-N-CA 122.571 2.181 . . . . 0.0 111.422 174.827 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1049 ' ' GLU . . . . . 0.405 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 49.1 mm-40 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.542 ' HG2' ' HB1' ' A' 1121 ' ' ALA . 61.2 mtt -54.93 -55.16 33.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.872 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -38.51 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.789 -173.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 6.8 t -77.49 -39.72 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.671 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' 1057 ' ' VAL . . . -63.53 -36.86 85.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 65.9 tp -54.51 -44.92 73.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.601 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 48.0 m -58.03 -39.91 79.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.707 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 46.2 t -64.07 -46.91 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' 1053 ' ' ALA . 30.0 t -64.6 -38.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.13 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.67 -28.8 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 0.0 111.406 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -75.97 -26.32 56.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.807 0.337 . . . . 0.0 110.574 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' 1064 ' ' LEU . 85.4 mt -70.85 -47.78 57.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.803 ' HB3' HD13 ' A' 1159 ' ' LEU . 5.2 pt-20 -59.43 -39.92 85.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.3 mttp -74.29 -26.1 59.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.88 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.81 -47.33 66.38 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.698 HD22 ' HB2' ' A' 1132 ' ' ALA . 30.7 mt -60.04 -32.03 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 1061 ' ' GLU . 79.0 mt-30 -61.5 -38.42 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.299 . . . . 0.0 110.765 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.7 -48.25 64.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.144 0.497 . . . . 0.0 110.357 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.667 HG12 ' HD2' ' A' 1136 ' ' ARG . 2.0 mp -64.26 -33.9 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.476 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -64.69 -39.72 94.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 110.311 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.38 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.76 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.716 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' 1072 ' ' ARG . 9.9 tpt180 -59.35 -55.35 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.645 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.68 -30.63 65.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 101.0 39.81 3.01 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -120.86 19.04 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 36.4 mt . . . . . 0 C--N 1.33 -0.242 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 175.185 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.29 -34.78 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.21 -31.13 71.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1086 ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' 1086 ' ' LYS . 17.3 mmmt -79.18 -46.16 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.674 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 78.6 m -60.64 -41.11 94.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.712 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1088 ' ' THR . . . . . 0.401 HG22 HD12 ' A' 1203 ' ' LEU . 31.9 p -70.57 -41.44 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -31.81 73.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.65 HD21 HD13 ' A' 1203 ' ' LEU . 16.1 tp -62.62 -51.58 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.505 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -60.97 -39.72 97.42 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.458 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1093 ' ' ASN . . . . . 0.502 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.6 m-20 -66.07 -40.64 91.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.668 0.27 . . . . 0.0 110.978 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 21.2 m -67.4 -31.0 70.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.826 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.2 m -59.23 -50.65 73.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.702 175.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 49.0 mtmt -59.95 -39.6 86.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.83 42.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.754 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.484 HG23 HD22 ' A' 1128 ' ' LEU . 7.7 p -75.48 -23.2 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.672 0.272 . . . . 0.0 111.13 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 27.2 t -66.79 -39.05 87.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.765 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 9.2 p -75.04 -28.32 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.223 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.97 64.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.347 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.517 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.7 pt -64.05 -22.85 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.95 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.68 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.863 ' HB2' ' HB1' ' A' 1120 ' ' ALA . 71.7 mmtt -77.04 -24.74 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.569 HD13 HD21 ' A' 1165 ' ' LEU . 70.0 mt -64.66 -24.31 67.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.1 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.784 0.325 . . . . 0.0 110.312 176.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.436 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -58.28 -49.82 75.79 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.997 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1118 ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -71.11 -43.9 55.43 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.33 -43.24 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 111.176 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1120 ' ' ALA . . . . . 0.863 ' HB1' ' HB2' ' A' 1104 ' ' LYS . . . -64.82 -50.03 68.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.221 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.542 ' HB1' ' HG2' ' A' 1050 ' ' MET . . . -63.07 -31.01 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.47 -40.43 73.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.248 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.55 -36.2 44.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.72 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.5 m -59.14 -41.4 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.456 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -59.13 -41.16 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.637 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -68.76 -41.8 81.8 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.042 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.46 90.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.36 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.6 mt -66.92 -40.97 87.79 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -69.55 -26.89 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.584 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 13.3 m -79.3 -37.66 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -53.23 60.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.825 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.698 ' HB2' HD22 ' A' 1064 ' ' LEU . . . -56.9 -48.82 77.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.055 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -65.6 -37.92 88.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.567 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.1 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.581 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.73 97.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.085 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.667 ' HD2' HG12 ' A' 1067 ' ' ILE . 51.2 mtm180 -60.88 -37.67 82.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.602 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -62.23 -49.69 72.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.694 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 74.3 t -53.39 -46.15 57.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.077 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1139 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.12 -43.6 98.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.584 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.76 64.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 53.3 mt -88.13 -29.51 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.065 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.459 HG23 HG21 ' A' 1147 ' ' VAL . 4.6 t -74.07 153.33 39.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 9.5 m -82.4 -46.48 13.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.172 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.68 117.09 38.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.963 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.57 65.59 8.9 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.443 2.096 . . . . 0.0 111.752 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -162.35 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.79 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' 1151 ' ' VAL . 27.2 m -63.54 -22.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.021 171.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.654 ' O ' ' HG ' ' A' 1152 ' ' LEU . 78.7 mt-30 -55.65 -47.05 77.31 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.459 173.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.18 66.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -67.93 -39.47 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.716 -176.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' 1147 ' ' VAL . 2.8 p -68.97 -35.87 71.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.099 0.476 . . . . 0.0 110.571 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1148 ' ' GLN . 39.7 mt -75.42 -42.19 54.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.44 -49.29 72.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.56 ' O ' HG22 ' A' 1158 ' ' VAL . 11.1 p -65.76 -40.58 92.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.42 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.07 0.462 . . . . 0.0 110.529 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 30.6 m -67.61 -42.48 82.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.237 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.35 -39.27 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.588 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' 1154 ' ' THR . 91.9 t -56.23 -59.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.6 pp -67.88 -30.44 69.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.449 ' N ' HD11 ' A' 1159 ' ' LEU . 25.5 t70 -60.21 -48.94 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.973 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.6 mptt -71.52 -30.95 66.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1166 ' ' ILE . . . -66.59 -34.7 78.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.227 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' 1167 ' ' GLU . 50.1 m -63.24 -52.09 63.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.321 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1164 ' ' SER . . . . . 0.639 ' O ' ' HG2' ' A' 1168 ' ' GLU . 8.3 m -61.07 -38.29 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.262 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.812 ' HG ' HG11 ' A' 1188 ' ' VAL . 0.9 OUTLIER -54.56 -52.27 62.61 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 175.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' 1050 ' ' MET . 83.8 mt -60.99 -46.06 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.038 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' 1163 ' ' SER . 40.7 mt-10 -56.73 -59.07 5.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.36 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.667 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 13.6 pt-20 -72.87 -23.88 60.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.48 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.65 93.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.384 . . . . 0.0 110.276 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -63.15 -37.41 87.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.108 0.48 . . . . 0.0 109.996 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.667 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 57.3 mtmt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.173 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' 1183 ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.822 0 CA-C-O 121.238 0.542 . . . . 0.0 110.633 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.455 ' HB3' ' OE1' ' A' 1168 ' ' GLU . 13.7 mtp180 -68.16 -43.22 78.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.919 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 85.6 mt -53.05 -42.23 65.58 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.05 0.453 . . . . 0.0 111.124 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.68 84.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.97 -38.63 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.65 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.812 HG11 ' HG ' ' A' 1165 ' ' LEU . 11.9 p -71.82 -32.01 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.491 ' HA ' HD12 ' A' 1165 ' ' LEU . . . -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.425 0.631 . . . . 0.0 109.892 174.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.472 ' O ' ' HB ' ' A' 1193 ' ' THR . 43.9 mmtm -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.969 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.75 90.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.338 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 21.7 t -65.88 -38.24 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.301 0.572 . . . . 0.0 109.73 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1193 ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' 1190 ' ' LYS . 71.9 m -53.0 -49.1 66.89 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.465 177.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -76.03 -36.57 59.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.374 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.1 88.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.826 ' HB3' HG23 ' A' 1095 ' ' THR . 66.7 mt -57.82 -52.48 65.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.245 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -62.48 -38.21 88.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.692 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1198 ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' 1198 ' ' ARG . 37.1 ttm180 -66.84 -31.02 71.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.854 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -50.07 31.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -67.16 -22.08 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.737 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 33.1 t -75.64 -27.81 58.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.1 0.476 . . . . 0.0 110.55 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1202 ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' 1150 ' ' ILE . 79.7 m -84.91 -1.66 56.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.65 HD13 HD21 ' A' 1091 ' ' LEU . 91.2 mt -67.77 130.1 93.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo . . . . . 0 C--O 1.235 0.364 0 C-N-CA 122.684 2.256 . . . . 0.0 112.144 179.642 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 CA--C 1.522 -0.128 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.828 ' HE1' ' HB3' ' A' 1117 ' ' ALA . 51.3 mtt -72.03 -40.93 68.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.613 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -44.7 92.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.711 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1052 ' ' SER . . . . . 0.492 ' O ' HG21 ' A' 1056 ' ' VAL . 49.2 m -71.67 -33.41 68.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.173 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.32 87.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.078 0.466 . . . . 0.0 110.199 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.541 ' HA ' HG13 ' A' 1057 ' ' VAL . 55.8 tp -64.61 -41.14 96.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.283 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 74.4 m -59.24 -42.37 90.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.429 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' 1052 ' ' SER . 97.5 t -60.66 -54.22 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.834 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' 1054 ' ' LEU . 9.9 p -64.78 -34.67 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.389 -175.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' 1062 ' ' LYS . 84.3 mt-30 -70.58 -28.14 64.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 111.55 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1059 ' ' ASN . . . . . 0.748 ' HA ' ' HE3' ' A' 1062 ' ' LYS . 22.5 m-80 -76.41 -36.61 57.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 173.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.7 mt -62.05 -45.77 92.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.217 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.796 ' HB3' HD11 ' A' 1159 ' ' LEU . 8.0 pt-20 -62.85 -31.59 72.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.217 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' 1059 ' ' ASN . 9.0 mtmp? -62.1 -52.65 63.03 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' 1067 ' ' ILE . 1.5 m-20 -58.36 -46.75 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.538 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.721 HD22 ' HB1' ' A' 1132 ' ' ALA . 5.0 mt -61.99 -39.43 92.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.335 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.24 -40.85 98.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1066 ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' 1062 ' ' LYS . 43.1 mt-10 -62.87 -41.52 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.417 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.762 HG22 ' HG3' ' A' 1136 ' ' ARG . 77.8 mt -67.67 -36.94 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.891 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.98 -46.32 91.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.23 83.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.433 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.1 -50.03 73.55 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.808 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -60.64 -45.25 94.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.76 -44.8 96.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.926 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.31 -22.58 57.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.07 30.33 8.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.069 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -115.73 15.66 16.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.91 0.386 . . . . 0.0 110.456 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 42.4 tp . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.574 0.226 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.17 -30.61 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.97 -36.43 74.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.607 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -69.05 -45.33 70.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.188 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 69.7 m -66.51 -38.43 87.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.763 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1088 ' ' THR . . . . . 0.486 HG21 HD12 ' A' 1203 ' ' LEU . 30.7 p -67.65 -39.94 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.517 . . . . 0.0 110.45 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.52 -48.89 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.96 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.49 -36.62 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.524 HD23 HD21 ' A' 1203 ' ' LEU . 17.7 tp -60.86 -54.0 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.307 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.56 95.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.177 -0.535 . . . . 0.0 112.669 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1093 ' ' ASN . . . . . 0.45 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 30.4 m-80 -65.58 -45.13 84.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.0 m -65.06 -30.69 71.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.754 0.311 . . . . 0.0 110.642 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.832 HG21 ' HB3' ' A' 1196 ' ' LEU . 77.0 m -60.1 -55.91 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.809 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 64.6 pttt -67.83 -32.9 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -54.37 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.536 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' 1124 ' ' VAL . 8.7 p -73.48 -23.05 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.7 t -67.05 -34.5 77.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.303 0.573 . . . . 0.0 109.84 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 42.9 m -74.16 -25.22 59.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 110.0 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.449 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -72.44 -49.31 34.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.817 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.9 pt -64.43 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 120.752 0.311 . . . . 0.0 110.581 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.18 95.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 53.3 mttp -75.66 -38.2 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.622 HD11 ' HE3' ' A' 1050 ' ' MET . 19.2 tp -66.16 -28.34 68.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.541 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' 1185 ' ' LEU . 36.0 tp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.845 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.828 ' HB3' ' HE1' ' A' 1050 ' ' MET . . . -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.1 -49.92 19.69 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.7 -45.74 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.67 0.271 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.9 -41.82 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.684 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -67.4 -33.04 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.228 0.537 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -71.72 -33.13 68.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.213 0.53 . . . . 0.0 109.976 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1123 ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 29.6 t70 -78.26 -38.54 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.669 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.4 m -59.29 -38.32 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.434 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -61.07 -38.73 87.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.349 . . . . 0.0 110.77 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -74.47 -42.08 34.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.35 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1127 ' ' GLY . . . . . 0.463 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -62.35 -40.08 98.58 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.493 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' 1124 ' ' VAL . 82.6 mt -68.31 -29.81 68.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.623 0.249 . . . . 0.0 110.955 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1125 ' ' ALA . 63.0 mtt180 -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.2 0.524 . . . . 0.0 110.183 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 21.5 m -56.69 -41.5 77.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.392 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.445 HD22 HD13 ' A' 1091 ' ' LEU . 1.9 tm? -57.7 -49.17 77.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.721 ' HB1' HD22 ' A' 1064 ' ' LEU . . . -62.72 -42.88 99.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.421 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1129 ' ' ARG . 96.8 mt-30 -61.89 -44.28 97.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.311 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1138 ' ' VAL . . . -63.57 -47.43 81.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.762 ' HG3' HG22 ' A' 1067 ' ' ILE . 4.6 mpt_? -66.51 -36.23 82.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.52 -41.27 96.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.881 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1138 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1134 ' ' ALA . 77.1 t -55.95 -45.91 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 0.0 111.351 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.54 90.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.8 69.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.98 0.419 . . . . 0.0 110.933 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.89 -37.74 84.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.05 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.47 HG22 HG23 ' A' 1147 ' ' VAL . 14.0 t -68.82 -38.34 79.8 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.438 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.6 m 61.27 13.24 4.72 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' 1148 ' ' GLN . 23.5 m-20 -94.39 116.78 66.8 Favored Pre-proline 0 C--O 1.233 0.215 0 O-C-N 122.167 -0.333 . . . . 0.0 110.201 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 8.6 Cg_exo -72.13 68.48 3.27 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 123.306 2.671 . . . . 0.0 112.298 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.37 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.141 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' 1151 ' ' VAL . 21.5 m -72.73 -22.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.153 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.701 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.75 -52.61 63.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.892 0.377 . . . . 0.0 110.204 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.8 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -44.84 40.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.766 -175.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' 1147 ' ' VAL . 4.0 p -68.64 -31.27 50.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.459 0.647 . . . . 0.0 110.899 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' 1148 ' ' GLN . 30.7 mt -78.23 -40.41 37.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.235 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -50.64 67.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.378 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' 1198 ' ' ARG . 21.4 p -60.28 -48.58 81.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.531 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.31 70.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 111.366 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 10.8 t -80.38 -25.96 38.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.048 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.562 ' OD1' ' HE2' ' A' 1161 ' ' LYS . 37.9 t70 -71.83 -32.74 67.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' 1154 ' ' THR . 83.9 t -56.81 -60.58 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.898 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' 1061 ' ' GLU . 3.0 pp -66.09 -29.21 69.49 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.679 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.599 ' N ' HD13 ' A' 1159 ' ' LEU . 27.1 t70 -50.8 -53.12 34.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.021 0.439 . . . . 0.0 110.876 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.562 ' HE2' ' OD1' ' A' 1157 ' ' ASP . 3.2 mptp? -77.25 -29.01 53.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.369 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -63.64 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.574 0.226 . . . . 0.0 111.085 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' HG3' ' A' 1167 ' ' GLU . 39.3 m -58.22 -47.01 84.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 17.3 m -69.24 -28.83 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.878 ' HG ' HG11 ' A' 1188 ' ' VAL . 2.7 tt -62.67 -46.73 86.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' 1162 ' ' ALA . 70.4 mt -67.76 -41.2 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.81 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' 1163 ' ' SER . 51.5 mt-10 -61.45 -49.21 77.72 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.522 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' 1185 ' ' LEU . 25.1 tp10 -58.17 -45.72 87.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.81 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1169 ' ' ALA . . . . . 0.451 ' HA ' HD23 ' A' 1185 ' ' LEU . . . -64.35 -47.05 80.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.147 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.43 -34.63 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.433 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt . . . . . 0 N--CA 1.441 -0.883 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.317 177.196 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' 1187 ' ' GLN . 93.4 mt-30 . . . . . 0 CA--C 1.521 -0.141 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -55.21 -45.41 75.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.127 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.547 ' HB3' HD13 ' A' 1106 ' ' LEU . 0.8 OUTLIER -54.17 -44.67 71.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 177.195 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.52 80.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' 1183 ' ' GLN . 86.3 mt-30 -61.09 -49.64 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.878 HG11 ' HG ' ' A' 1165 ' ' LEU . 12.0 p -72.05 -33.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' 1165 ' ' LEU . . . -62.84 -44.4 96.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.238 0.542 . . . . 0.0 110.018 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.492 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.95 88.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.5 HG23 HD13 ' A' 1165 ' ' LEU . 95.6 t -61.28 -38.82 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.0 110.31 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 28.6 m -59.93 -42.51 94.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.713 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.07 -33.26 67.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.276 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.27 90.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.832 0.348 . . . . 0.0 110.081 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.832 ' HB3' HG21 ' A' 1095 ' ' THR . 80.7 mt -59.45 -44.4 92.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.776 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.58 -37.73 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.819 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1198 ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' 1154 ' ' THR . 20.9 ttp180 -70.7 -25.09 62.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1199 ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' 1154 ' ' THR . 72.6 m -71.49 -49.38 41.78 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 109.892 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -71.84 -23.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.807 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 8.9 t -78.42 -32.42 48.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -83.76 -2.4 56.21 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.524 0.202 . . . . 0.0 111.534 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.524 HD21 HD23 ' A' 1091 ' ' LEU . 76.2 mt -57.84 124.82 70.98 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.619 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 N--CA 1.462 -0.353 0 C-N-CA 122.931 2.421 . . . . 0.0 112.268 178.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.131 0.491 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.509 ' HG2' ' HB3' ' A' 1121 ' ' ALA . 60.3 mtt -56.66 -40.55 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.9 175.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.06 -41.87 77.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -36.5 74.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' 1056 ' ' VAL . . . -66.46 -40.82 89.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 0.0 110.192 174.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' 1166 ' ' ILE . 51.0 tp -59.78 -33.88 72.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.672 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -61.93 -41.9 98.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.541 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' 1053 ' ' ALA . 6.1 m -72.38 -24.7 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -41.1 71.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.295 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.64 -28.58 69.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.414 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -76.36 -34.35 58.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 110.471 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' 1129 ' ' ARG . 96.2 mt -67.66 -44.77 77.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.652 ' HB3' HD13 ' A' 1159 ' ' LEU . 10.4 pt-20 -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.99 -39.98 90.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.853 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' 1067 ' ' ILE . 31.2 m-20 -61.72 -46.62 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.462 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.691 HD11 HD21 ' A' 1159 ' ' LEU . 56.4 mt -65.78 -34.19 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.425 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1061 ' ' GLU . 22.7 mt-30 -62.61 -38.33 89.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.422 . . . . 0.0 110.756 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.22 -43.15 67.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' 1063 ' ' ASP . 82.5 mt -65.0 -33.3 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.425 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' 1153 ' ' ASP . 23.8 tptm -57.72 -48.51 79.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.455 177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.58 94.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -74.48 -27.79 60.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -66.48 -43.02 86.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.904 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.27 -36.16 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 109.9 11.76 19.99 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.939 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -79.68 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 115.208 -0.905 . . . . 0.0 113.114 179.422 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1083 ' ' THR . . . . . 0.547 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 1.2 p . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.633 0.254 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.2 ttm -56.4 -37.85 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.227 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.547 ' OE1' ' HB ' ' A' 1083 ' ' THR . 9.6 pm0 -62.62 -35.13 78.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.661 0.267 . . . . 0.0 110.715 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.13 -40.06 28.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.95 -40.03 96.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.644 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 19.5 p -72.42 -28.75 63.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 110.613 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.24 -47.51 61.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.61 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.04 -27.46 67.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.338 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.755 ' HG ' HD13 ' A' 1203 ' ' LEU . 0.9 OUTLIER -57.6 -52.91 63.49 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.033 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.482 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.99 -40.59 99.49 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.447 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -60.8 -46.66 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.656 0.265 . . . . 0.0 110.787 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 16.9 m -63.26 -37.36 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 110.181 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1095 ' ' THR . . . . . 1.0 HG22 ' HB3' ' A' 1196 ' ' LEU . 55.4 m -55.61 -53.56 55.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.789 175.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' 1092 ' ' GLY . 51.0 mtmt -66.34 -34.55 78.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.964 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.17 -55.26 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.58 HG22 HD21 ' A' 1128 ' ' LEU . 10.9 p -72.16 -24.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.617 -178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 42.6 t -63.87 -40.61 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 110.32 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1100 ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' 1104 ' ' LYS . 25.1 m -73.82 -25.71 60.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.135 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -75.02 -46.56 34.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.546 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.5 pt -64.7 -27.32 42.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.794 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.3 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.83 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' 1100 ' ' SER . 94.2 mttt -70.77 -32.75 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.524 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.38 -25.53 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.473 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.86 -178.446 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.476 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -59.35 -35.82 74.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.043 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.76 96.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.956 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.42 -37.87 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.19 70.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.323 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.509 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -64.86 -30.12 71.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.266 0.555 . . . . 0.0 110.831 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -75.37 -30.11 60.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.34 0.59 . . . . 0.0 109.985 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.09 -41.58 49.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.599 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.745 ' O ' ' HG ' ' A' 1128 ' ' LEU . 30.7 m -62.1 -42.95 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.765 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -59.85 -38.84 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.065 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.16 -43.45 98.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.999 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.15 -36.25 92.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.024 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' 1124 ' ' VAL . 42.5 mt -71.13 -36.75 72.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.551 ' HG2' HD11 ' A' 1060 ' ' LEU . 42.2 mtm180 -60.62 -53.34 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 0.0 110.491 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -60.56 -36.55 78.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.217 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -53.13 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1132 ' ' ALA . . . . . . . . . . . . . . . -58.22 -38.48 76.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.702 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.62 -46.23 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.85 66.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.61 -54.93 32.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1136 ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -68.17 -23.95 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.01 -48.28 72.8 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.5 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.6 -44.24 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.567 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.76 98.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.476 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.98 -26.91 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.45 -39.3 38.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.557 HG21 HG22 ' A' 1147 ' ' VAL . 6.7 t -73.47 -43.97 59.02 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.435 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 16.6 t 57.28 29.94 17.62 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.296 0.57 . . . . 0.0 110.49 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' 1148 ' ' GLN . 19.1 t70 -109.48 113.7 57.96 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.41 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.17 68.24 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 0.0 112.954 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.03 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.717 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.557 HG22 HG21 ' A' 1142 ' ' THR . 21.7 m -80.37 -22.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.589 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.637 ' HB3' ' HB1' ' A' 1071 ' ' ALA . 28.1 mt-30 -53.78 -56.15 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.19 0.519 . . . . 0.0 110.675 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.81 71.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.51 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.3 OUTLIER -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 -174.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.81 -34.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.086 0.47 . . . . 0.0 110.992 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.5 mt -77.4 -41.33 40.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.222 0.534 . . . . 0.0 110.48 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1153 ' ' ASP . . . . . 0.524 ' HB2' ' HE3' ' A' 1068 ' ' LYS . 15.6 t70 -55.9 -45.73 78.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.04 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.471 ' O ' HG22 ' A' 1158 ' ' VAL . 17.6 p -69.08 -42.93 75.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 28.0 t -68.94 -27.37 65.69 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.369 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.7 -35.2 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' 1154 ' ' THR . 94.6 t -55.01 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.902 177.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.691 HD21 HD11 ' A' 1064 ' ' LEU . 3.3 pp -67.44 -29.22 68.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.273 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.57 ' N ' HD12 ' A' 1159 ' ' LEU . 28.2 t70 -55.8 -50.55 70.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.6 mptt -72.75 -33.44 66.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.367 178.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' 1159 ' ' LEU . . . -64.44 -30.2 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 41.2 m -62.02 -52.05 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.005 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 15.7 m -65.92 -30.95 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.518 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.614 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.2 tt -59.11 -52.37 66.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.539 ' HB ' HD12 ' A' 1054 ' ' LEU . 67.5 mt -67.07 -42.45 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.229 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.47 -44.3 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.87 -37.32 86.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.138 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.07 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.181 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.42 -35.59 77.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.173 0.511 . . . . 0.0 110.11 175.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 177.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -65.44 -44.31 87.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.882 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.18 -46.13 75.81 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.984 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.63 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.215 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.02 -47.28 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.614 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -70.24 -33.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.054 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -65.86 -48.38 71.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -69.59 -22.12 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.709 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -66.28 -33.41 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 109.776 173.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.432 HG21 HD11 ' A' 1165 ' ' LEU . 46.2 t -69.21 -43.05 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.373 174.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1193 ' ' THR . . . . . 0.435 ' HA ' HD13 ' A' 1196 ' ' LEU . 12.9 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.978 176.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1194 ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' 1190 ' ' LYS . 82.7 mm-40 -62.66 -43.47 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.907 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.41 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.636 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 1.0 ' HB3' HG22 ' A' 1095 ' ' THR . 78.0 mt -58.44 -52.53 65.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.186 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 11.3 t30 -67.37 -33.48 75.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.114 0.483 . . . . 0.0 110.408 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -64.9 -30.49 71.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1199 ' ' CYS . . . . . 0.588 ' O ' ' HG ' ' A' 1203 ' ' LEU . 18.2 t -73.49 -50.24 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.608 HG11 HD11 ' A' 1091 ' ' LEU . 30.1 m -68.43 -21.97 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 40.8 t -70.17 -45.27 67.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.461 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 28.7 p -77.2 -17.89 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.227 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.755 HD13 ' HG ' ' A' 1091 ' ' LEU . 52.3 mt -60.8 123.33 74.29 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 N--CA 1.455 -0.751 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 177.408 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1049 ' ' GLU . . . . . 0.402 ' HA ' ' OG ' ' A' 1052 ' ' SER . 8.2 tp10 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 47.3 mtt -66.69 -38.21 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.188 0.518 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.96 -39.53 72.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1052 ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' 1049 ' ' GLU . 3.1 p -71.07 -38.56 72.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.728 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.1 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.518 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.02 -38.05 87.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 32.6 t -63.34 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.921 0.391 . . . . 0.0 110.003 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' 1060 ' ' LEU . 76.1 t -62.46 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 46.8 t -64.5 -37.77 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.843 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.422 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 46.5 mt-30 -63.6 -28.12 69.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.161 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -75.59 -39.33 58.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.945 0.402 . . . . 0.0 110.231 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.735 HD23 ' HG2' ' A' 1129 ' ' ARG . 95.9 mt -62.75 -48.56 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.182 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.427 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.2 pt-20 -59.96 -35.64 75.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.725 ' HZ1' ' HB3' ' A' 1062 ' ' LYS . 9.2 mtpm? -69.89 -45.79 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.091 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.586 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.25 -48.21 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' 1132 ' ' ALA . 12.5 mt -62.08 -35.55 78.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.872 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.95 -36.95 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 0.0 110.692 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.35 -31.06 62.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' 1063 ' ' ASP . 37.8 mt -72.43 -24.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.012 174.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' 1064 ' ' LEU . 58.1 mtpt -67.84 -39.94 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.907 0.384 . . . . 0.0 110.116 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.85 92.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.839 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.85 77.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.463 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.73 74.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.102 0.477 . . . . 0.0 111.102 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.503 ' HD3' ' O ' ' A' 1072 ' ' ARG . 13.2 tpp180 -64.1 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.116 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -30.32 69.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.785 0.326 . . . . 0.0 111.44 -173.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.01 14.16 10.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.47 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -104.62 18.55 22.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.901 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' 1140 ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.7 0.285 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1084 ' ' MET . . . . . 0.602 ' HA ' HD12 ' A' 1141 ' ' LEU . 44.5 ttm -68.93 -41.21 78.41 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -22.28 66.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 -176.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.7 -54.9 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.849 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 72.1 m -66.61 -41.79 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.935 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.8 p -65.89 -39.81 90.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -72.17 -40.06 68.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.64 -34.03 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.026 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.541 HD11 HD22 ' A' 1131 ' ' LEU . 20.6 tp -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.82 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.11 -43.7 95.22 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.189 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -61.05 -43.52 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.868 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.585 ' O ' HG23 ' A' 1098 ' ' VAL . 19.5 m -61.5 -45.3 94.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.208 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1095 ' ' THR . . . . . 1.018 HG21 ' HB3' ' A' 1196 ' ' LEU . 52.9 m -51.6 -56.06 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -55.62 -42.55 75.08 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.342 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 1094 ' ' SER . 21.8 t -68.45 -37.41 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.542 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.8 m -59.56 -41.24 89.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -70.53 -39.29 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 110.154 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.625 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -66.84 -47.8 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.939 -176.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.9 pt -63.79 -26.11 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.543 0.211 . . . . 0.0 111.316 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.7 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.127 0.489 . . . . 0.0 110.659 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 47.9 pttt -70.46 -24.04 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.08 -41.94 70.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.372 176.619 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1116 ' ' TYR . . . . . 0.598 ' HD2' ' HB2' ' A' 1104 ' ' LYS . 26.0 m-85 . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.93 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.28 -42.62 10.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.715 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.2 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.342 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1120 ' ' ALA . . . . . 0.5 ' HB2' ' HG3' ' A' 1104 ' ' LYS . . . -69.54 -39.2 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.632 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.06 86.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.198 0.523 . . . . 0.0 110.565 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1122 ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' 1122 ' ' ARG . 21.1 ttt180 -75.86 -27.29 57.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.181 0.515 . . . . 0.0 110.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.4 -44.05 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' 1128 ' ' LEU . 11.7 m -63.58 -45.28 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.341 174.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.91 -44.12 73.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.683 0.277 . . . . 0.0 111.33 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.13 32.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -63.99 -35.83 92.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.813 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1124 ' ' VAL . 94.5 mt -69.05 -25.39 64.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.899 -0.177 . . . . 0.0 111.199 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.735 ' HG2' HD23 ' A' 1060 ' ' LEU . 20.7 mtm180 -64.93 -48.75 73.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.564 175.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 24.3 m -62.85 -42.1 99.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.316 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.541 HD22 HD11 ' A' 1091 ' ' LEU . 2.1 tm? -56.2 -51.9 66.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 178.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.874 ' HB3' HD22 ' A' 1064 ' ' LEU . . . -59.11 -51.62 69.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.726 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.45 -41.63 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.588 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.65 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.003 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.232 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1132 ' ' ALA . 12.4 mmm180 -67.83 -37.75 82.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.239 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.437 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -44.02 97.38 Favored Glycine 0 C--O 1.227 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.14 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.0 t -54.99 -45.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.67 0.271 . . . . 0.0 111.288 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.43 -28.0 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.449 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1140 ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' 1076 ' ' LEU . . . -77.21 -44.44 30.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' 1084 ' ' MET . 40.6 mt -64.4 -32.55 74.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.653 -176.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.0 t -84.91 152.76 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 40.5 m -116.33 12.23 15.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.228 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 39.3 m-20 -89.97 107.52 19.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.135 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.8 Cg_exo -75.15 68.62 5.84 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.212 2.608 . . . . 0.0 112.556 -175.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -166.48 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.355 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1147 ' ' VAL . . . . . . . . . . . . . 35.1 m -69.62 -22.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.718 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.698 ' O ' ' HG ' ' A' 1152 ' ' LEU . 27.0 mt-30 -58.2 -47.82 82.27 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.707 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.83 65.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.792 0.329 . . . . 0.0 110.606 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.543 HG22 ' HB2' ' A' 1202 ' ' CYS . 0.4 OUTLIER -69.66 -40.03 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.589 -174.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.46 ' HA ' ' SG ' ' A' 1202 ' ' CYS . 2.7 p -70.39 -31.28 46.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.326 0.584 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' 1148 ' ' GLN . 25.9 mt -78.06 -40.55 38.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.88 -45.76 82.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.391 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' 1198 ' ' ARG . 33.9 p -67.77 -39.78 84.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.154 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.21 94.48 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.468 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.5 t -63.38 -33.45 75.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.103 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.409 ' O ' ' HD2' ' A' 1161 ' ' LYS . 35.8 t70 -72.08 -37.17 69.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.194 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' 1154 ' ' THR . 67.1 t -59.12 -56.31 17.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.433 HD21 HD13 ' A' 1064 ' ' LEU . 4.7 pp -62.9 -31.46 72.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.854 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' 1159 ' ' LEU . 12.7 t70 -53.55 -53.48 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.816 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.473 ' HG2' ' HB1' ' A' 1191 ' ' ALA . 7.9 mttp -77.52 -34.28 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.409 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.92 76.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.601 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' 1167 ' ' GLU . 19.8 m -64.93 -49.84 68.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.089 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1164 ' ' SER . . . . . 0.472 ' HB2' HG22 ' A' 1188 ' ' VAL . 14.8 m -58.25 -34.71 70.76 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.407 ' HA ' HG11 ' A' 1188 ' ' VAL . 61.9 tp -60.99 -51.73 68.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 0.0 110.704 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.92 -38.94 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.3 mt-10 -62.91 -44.41 96.16 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.057 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.419 ' CD ' ' HZ3' ' A' 1171 ' ' LYS . 14.5 tp10 -59.53 -44.63 93.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.327 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.89 76.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.08 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.43 -44.45 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.459 ' HZ2' ' HB2' ' A' 1171 ' ' LYS . 9.6 mtmp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.58 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.699 0.285 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' 1188 ' ' VAL . 19.4 mmt180 -61.67 -42.69 99.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.464 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.27 -46.41 76.15 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.516 0.51 . . . . 0.0 110.762 177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.29 80.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.286 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.98 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' 1164 ' ' SER . 8.8 p -70.96 -26.53 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.53 99.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.958 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' 1193 ' ' THR . 34.2 mmtp -71.57 -29.19 64.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.332 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1191 ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -63.55 -46.23 86.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.647 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.498 ' O ' HD13 ' A' 1196 ' ' LEU . 60.2 t -62.06 -44.21 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1193 ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' 1190 ' ' LYS . 53.7 m -47.54 -47.13 28.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.456 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -78.41 -26.08 46.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.065 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.0 55.03 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 1.018 ' HB3' HG21 ' A' 1095 ' ' THR . 0.3 OUTLIER -52.34 -52.61 52.3 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.91 172.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.451 ' C ' HD21 ' A' 1197 ' ' ASN . 0.2 OUTLIER -66.42 -34.79 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.9 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1198 ' ' ARG . . . . . 0.445 ' HG2' HG23 ' A' 1154 ' ' THR . 39.4 ttm180 -65.27 -32.15 73.66 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.128 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.2 t -74.35 -47.39 34.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.265 0.555 . . . . 0.0 109.886 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 27.5 m -67.32 -27.15 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.06 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.3 t -77.7 -23.93 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.391 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1202 ' ' CYS . . . . . 0.543 ' HB2' HG22 ' A' 1150 ' ' ILE . 14.8 p -85.81 -4.78 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.656 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.483 HD12 HD22 ' A' 1091 ' ' LEU . 96.2 mt -62.95 137.99 97.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.846 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.343 0.251 0 C-N-CA 122.82 2.347 . . . . 0.0 112.214 -179.356 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.79 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 40.0 mtt -63.59 -37.03 85.78 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.094 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.93 -43.14 99.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 15.3 m -69.06 -43.29 74.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.947 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.11 77.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.819 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.58 HD23 ' HB ' ' A' 1166 ' ' ILE . 2.4 tm? -59.49 -45.9 90.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.045 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 63.8 m -58.62 -36.1 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.8 t -64.18 -44.71 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.379 . . . . 0.0 110.04 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.7 t -61.9 -39.6 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.267 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1062 ' ' LYS . 77.0 mm-40 -58.59 -42.06 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -34.4 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.073 0.463 . . . . 0.0 110.438 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' 1056 ' ' VAL . 98.4 mt -70.89 -46.66 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.683 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.8 pt-20 -63.81 -36.92 85.48 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.284 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' 1058 ' ' GLN . 29.5 mtpp -60.37 -36.25 77.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.17 0.294 . . . . 0.0 110.934 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -51.96 67.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 110.749 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.789 HD13 ' HB1' ' A' 1132 ' ' ALA . 7.5 mp -70.45 -21.84 62.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.604 -174.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1061 ' ' GLU . 29.7 mm-40 -67.77 -39.44 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -63.95 -53.04 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.491 175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.491 HG12 ' HD2' ' A' 1136 ' ' ARG . 1.8 mp -58.37 -37.23 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.267 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.348 . . . . 0.0 110.58 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.32 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.068 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.88 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.415 ' HB2' HD22 ' A' 1076 ' ' LEU . . . -72.62 -27.89 62.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.8 -46.0 85.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.293 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.3 -18.82 44.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.65 37.47 5.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.859 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.36 -75.72 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' 1140 ' ' ALA . 39.4 mt . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 45.1 ttm -62.51 -32.4 73.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.822 0.344 . . . . 0.0 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.82 -47.47 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -46.31 83.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.304 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.408 ' O ' ' HB1' ' A' 1134 ' ' ALA . 74.7 m -61.6 -50.32 73.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.24 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1088 ' ' THR . . . . . 0.485 HG23 HD13 ' A' 1203 ' ' LEU . 25.5 p -64.05 -32.35 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.057 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.65 -51.41 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.779 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 46.8 t0 -64.09 -36.46 84.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.136 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.835 HD22 HD11 ' A' 1203 ' ' LEU . 19.3 tp -58.71 -53.05 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.189 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.93 -43.58 97.28 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.923 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -67.48 -37.36 82.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.584 0.23 . . . . 0.0 111.448 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 38.8 m -73.22 -29.74 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.1 m -58.21 -41.49 84.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.234 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.08 -29.66 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.915 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -76.06 -49.35 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.574 HG22 HG12 ' A' 1124 ' ' VAL . 4.0 p -74.7 -30.18 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.2 p -69.0 -37.21 78.57 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1100 ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' 1104 ' ' LYS . 13.6 p -74.75 -27.9 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.363 0.601 . . . . 0.0 109.993 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.594 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -72.09 -43.24 65.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.546 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.4 pt -64.14 -29.65 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.734 0.302 . . . . 0.0 110.733 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 53.8 mtmt -76.04 -28.99 57.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.72 -37.06 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.235 0.54 . . . . 0.0 110.684 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.098 -177.805 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1116 ' ' TYR . . . . . 0.47 ' HA ' HD13 ' A' 1119 ' ' ILE . 48.0 m-85 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.752 0.31 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.79 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -58.24 -39.88 80.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.676 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -68.81 -35.77 80.62 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.191 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1119 ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' 1116 ' ' TYR . 80.6 mt -55.55 -55.04 19.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.06 0.457 . . . . 0.0 110.659 177.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.73 77.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -71.83 -21.45 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.026 0.441 . . . . 0.0 110.736 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -79.13 -44.53 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.093 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.69 -42.74 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.378 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.699 ' O ' ' HG ' ' A' 1128 ' ' LEU . 16.8 m -62.64 -46.3 96.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.327 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.71 -49.84 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.6 0.238 . . . . 0.0 110.838 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.87 -41.94 99.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.408 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.76 96.49 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.314 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.5 mt -71.55 -25.93 62.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' 1125 ' ' ALA . 12.9 mtm180 -61.38 -56.29 21.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.422 0.629 . . . . 0.0 109.435 175.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.2 m -66.31 -33.63 76.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.469 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.516 HD22 HD12 ' A' 1091 ' ' LEU . 0.4 OUTLIER -54.23 -48.95 70.52 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 173.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.789 ' HB1' HD13 ' A' 1064 ' ' LEU . . . -62.52 -50.82 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.445 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' 1129 ' ' ARG . 50.3 mt-30 -57.98 -39.73 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.264 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' 1087 ' ' CYS . . . -73.31 -44.05 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.365 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.298 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.491 ' HD2' HG12 ' A' 1067 ' ' ILE . 29.5 mtm180 -61.48 -35.35 77.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.003 0.43 . . . . 0.0 110.156 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -65.01 -51.33 52.06 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.163 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1138 ' ' VAL . . . . . 0.47 ' HB ' HG23 ' A' 1151 ' ' VAL . 73.8 t -53.92 -45.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.026 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.8 92.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.491 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1140 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 1076 ' ' LEU . . . -71.56 -26.92 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.545 -177.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1137 ' ' GLY . 94.9 mt -80.18 -36.9 34.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.823 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.498 HG22 HG23 ' A' 1147 ' ' VAL . 10.2 t -78.05 146.73 35.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.2 t -105.5 6.25 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.935 0.398 . . . . 0.0 110.425 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' 1148 ' ' GLN . 18.1 t70 -88.53 113.32 54.99 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -74.74 67.74 5.63 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.789 2.326 . . . . 0.0 111.707 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.72 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.572 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.498 HG23 HG22 ' A' 1142 ' ' THR . 29.0 m -69.62 -23.08 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.638 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.2 mt-30 -56.96 -42.83 80.86 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 121.144 0.497 . . . . 0.0 110.274 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.96 68.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.751 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -38.73 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.737 -174.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.47 HG23 ' HB ' ' A' 1138 ' ' VAL . 3.5 p -72.55 -37.08 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.9 mt -74.8 -44.21 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.95 -46.68 81.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.64 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.527 ' O ' HG22 ' A' 1158 ' ' VAL . 10.9 p -64.52 -45.27 87.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.692 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.5 t -66.28 -35.02 79.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.07 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.32 -35.58 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.391 . . . . 0.0 109.999 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' 1154 ' ' THR . 89.2 t -59.06 -58.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 176.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' 1061 ' ' GLU . 3.2 pp -65.32 -30.68 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.578 ' N ' HD12 ' A' 1159 ' ' LEU . 32.2 t70 -57.9 -49.69 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 176.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.7 mptt -77.22 -27.55 53.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.056 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -63.73 -47.17 82.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.01 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1167 ' ' GLU . 5.0 p -67.12 -45.74 76.27 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.03 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 68.9 m -57.26 -34.03 68.2 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.75 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -61.09 -51.88 67.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.58 ' HB ' HD23 ' A' 1054 ' ' LEU . 35.4 mt -67.19 -40.4 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.72 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' 1163 ' ' SER . 49.4 mt-10 -67.41 -45.88 74.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.51 -42.3 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1169 ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' 1185 ' ' LEU . . . -61.23 -37.97 84.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -65.33 -36.77 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.101 0.477 . . . . 0.0 110.404 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.913 -179.754 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 7.6 mm100 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.962 0.41 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -62.12 -43.41 98.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.117 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' 1169 ' ' ALA . 2.4 mm? -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.948 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.8 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.16 -49.35 70.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.408 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.75 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -69.33 -36.81 73.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.346 -175.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -66.19 -40.09 90.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 177.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' 1193 ' ' THR . 17.7 tptm -67.98 -33.84 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.03 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.95 91.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.74 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.457 HG23 HD12 ' A' 1165 ' ' LEU . 49.1 t -62.25 -41.48 91.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.945 0.402 . . . . 0.0 109.991 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1193 ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' 1190 ' ' LYS . 62.8 m -51.19 -52.97 39.23 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.145 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -73.43 -37.8 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.595 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.56 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' 1095 ' ' THR . 76.4 mt -59.48 -52.61 64.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.125 177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.9 t30 -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 tpt180 -68.39 -34.63 76.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.2 t -68.58 -48.45 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.344 0.592 . . . . 0.0 109.532 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.425 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 24.5 m -69.25 -21.92 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.978 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 11.8 t -77.49 -29.87 52.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 84.5 m -86.11 -1.53 57.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.397 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.835 HD11 HD22 ' A' 1091 ' ' LEU . 62.7 mt -65.2 122.6 80.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 111.418 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1204 ' ' PRO . . . . . 0.411 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 68.8 Cg_endo . . . . . 0 N--CA 1.45 -1.046 0 C-N-CA 122.86 2.373 . . . . 0.0 111.687 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1049 ' ' GLU . . . . . 0.475 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 1.8 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.955 0.407 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 58.2 mtt -72.82 -31.98 65.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.538 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.69 -37.21 65.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.683 0.278 . . . . 0.0 110.94 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.7 m -71.4 -29.68 65.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 0.0 110.166 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.78 69.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.942 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.614 ' HB2' HG22 ' A' 1166 ' ' ILE . 59.4 tp -64.79 -42.63 94.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.126 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 10.4 p -61.56 -31.91 71.97 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.642 0.258 . . . . 0.0 110.752 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.1 t -62.4 -46.34 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' 1060 ' ' LEU . 44.1 t -65.5 -36.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' 1054 ' ' LEU . 34.4 mm-40 -61.94 -32.89 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.13 -27.56 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.632 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.626 HD21 ' HG2' ' A' 1129 ' ' ARG . 98.3 mt -67.75 -45.73 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.682 ' HB3' HD11 ' A' 1159 ' ' LEU . 7.1 pt-20 -64.36 -41.97 96.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.633 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.54 -28.38 67.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -52.33 55.23 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.709 HD23 ' HB1' ' A' 1132 ' ' ALA . 25.0 mt -67.74 -28.75 67.9 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.826 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' 1061 ' ' GLU . 14.8 mm100 -62.18 -29.5 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.751 176.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.66 -37.94 65.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.063 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.645 HG22 HD12 ' A' 1152 ' ' LEU . 2.1 mp -67.48 -38.79 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.87 -50.68 72.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.07 86.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.92 96.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.388 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.418 ' HB2' HD22 ' A' 1076 ' ' LEU . . . -67.69 -35.56 79.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.47 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -64.12 -40.45 96.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.111 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -76.03 -38.34 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 107.8 36.15 2.45 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -173.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -104.54 -68.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.435 . . . . 0.0 110.798 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' 1076 ' ' LEU . 14.0 mt . . . . . 0 CA--C 1.534 0.35 0 C-N-CA 124.216 1.006 . . . . 0.0 113.58 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.8 tpp -58.44 -44.17 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -44.3 97.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -57.79 -54.44 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.569 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 71.6 m -65.3 -44.66 87.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.6 p -64.11 -36.13 83.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 110.966 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.15 -49.51 60.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.29 -33.23 74.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.687 HD12 HG12 ' A' 1200 ' ' VAL . 0.3 OUTLIER -57.3 -54.08 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.277 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -65.54 -27.48 72.62 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.504 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -78.22 -40.87 36.09 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.542 -0.387 . . . . 0.0 111.065 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.448 ' O ' HG13 ' A' 1098 ' ' VAL . 20.1 m -63.57 -34.43 77.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.755 HG21 ' HB3' ' A' 1196 ' ' LEU . 97.0 m -55.51 -49.04 73.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.165 172.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' 1092 ' ' GLY . 55.6 mttp -62.03 -44.58 96.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.02 -61.66 2.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.531 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' 1094 ' ' SER . 7.7 p -67.78 -26.48 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.595 0.236 . . . . 0.0 111.043 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.7 t -67.42 -37.98 83.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.986 0.422 . . . . 0.0 110.161 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 23.1 t -69.9 -35.81 74.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.542 ' HB1' ' OD1' ' A' 1123 ' ' ASP . . . -65.85 -49.29 68.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.665 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.426 ' HA ' ' HB3' ' A' 1105 ' ' LEU . 36.0 pt -62.96 -23.73 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.604 0.24 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.96 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.573 . . . . 0.0 109.955 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.502 ' HE3' ' CE1' ' A' 1116 ' ' TYR . 26.1 mmmt -76.39 -24.03 54.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.119 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.436 HD11 HD22 ' A' 1106 ' ' LEU . 2.7 tm? -78.94 -51.47 9.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.772 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' 1185 ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -176.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1116 ' ' TYR . . . . . 0.502 ' CE1' ' HE3' ' A' 1104 ' ' LYS . 41.6 m-85 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -51.26 -48.63 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.322 0.389 . . . . 0.0 111.345 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1118 ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -79.59 -49.63 6.06 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.111 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.7 -54.95 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1120 ' ' ALA . . . . . 0.434 ' HB2' HD22 ' A' 1105 ' ' LEU . . . -70.27 -37.11 74.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -173.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.45 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.321 0.581 . . . . 0.0 110.312 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -72.08 -35.74 69.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.213 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1123 ' ' ASP . . . . . 0.542 ' OD1' ' HB1' ' A' 1101 ' ' ALA . 11.3 t70 -73.5 -41.3 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.251 -177.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1124 ' ' VAL . . . . . . . . . . . . . 24.4 m -58.23 -38.72 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -63.97 -43.17 96.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.4 96.0 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.319 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.16 -44.42 97.4 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.814 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.496 HD23 ' CB ' ' A' 1162 ' ' ALA . 2.4 mp -62.58 -37.63 86.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.663 ' HG3' ' O ' ' A' 1125 ' ' ALA . 54.7 mtp180 -60.72 -55.46 32.88 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.264 0.554 . . . . 0.0 110.003 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 5.1 m -59.89 -37.66 80.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.628 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -56.19 25.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.821 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.709 ' HB1' HD23 ' A' 1064 ' ' LEU . . . -59.28 -46.38 88.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.925 -177.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' 1129 ' ' ARG . 24.1 mt-30 -64.67 -39.74 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.224 -177.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1138 ' ' VAL . . . -68.57 -40.56 80.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.77 0.319 . . . . 0.0 110.742 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.31 80.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.676 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.558 ' HD2' HG12 ' A' 1067 ' ' ILE . 35.7 ptt180 -70.48 -23.51 62.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.454 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.1 -47.59 58.42 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 171.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1138 ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' 1134 ' ' ALA . 56.8 t -51.47 -50.65 28.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.4 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.975 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -76.19 -26.34 56.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 111.017 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 1137 ' ' GLY . 73.6 mt -86.98 -38.6 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.272 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.479 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.1 t -75.61 150.05 38.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.132 0.491 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 35.7 t -118.01 12.01 13.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.662 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.34 110.61 37.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.65 68.79 3.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.19 2.594 . . . . 0.0 112.754 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.07 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.154 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' 1151 ' ' VAL . 27.5 m -71.93 -25.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.219 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' 1152 ' ' LEU . 16.2 mt-30 -57.89 -55.82 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.197 0.522 . . . . 0.0 110.802 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.24 67.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.3 OUTLIER -74.21 -39.6 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.89 -175.503 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' 1147 ' ' VAL . 5.3 p -65.94 -36.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.158 0.504 . . . . 0.0 110.686 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.645 HD12 HG22 ' A' 1067 ' ' ILE . 30.9 mt -73.42 -44.52 58.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.317 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.939 -178.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.442 ' O ' HG21 ' A' 1158 ' ' VAL . 21.3 p -63.41 -43.53 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.201 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.08 79.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.181 0.515 . . . . 0.0 110.92 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 33.6 m -71.49 -36.47 71.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.818 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.45 ' O ' ' HD3' ' A' 1161 ' ' LYS . 26.5 t70 -63.75 -33.07 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.43 . . . . 0.0 110.012 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' 1154 ' ' THR . 98.7 t -58.04 -56.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.539 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -68.23 -30.94 70.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.513 ' N ' HD13 ' A' 1159 ' ' LEU . 13.7 m-20 -58.32 -52.9 63.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.143 0.497 . . . . 0.0 110.567 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' 1157 ' ' ASP . 0.5 OUTLIER -65.54 -40.27 92.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.494 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.496 ' CB ' HD23 ' A' 1128 ' ' LEU . . . -64.24 -35.3 80.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.569 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' 1167 ' ' GLU . 65.0 m -63.57 -44.96 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.9 t -66.46 -32.03 73.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.106 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.548 HD13 HD21 ' A' 1106 ' ' LEU . 57.8 tp -59.32 -49.42 77.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.136 173.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.614 HG22 ' HB2' ' A' 1054 ' ' LEU . 91.7 mt -66.34 -41.41 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 1163 ' ' SER . 46.2 mt-10 -60.72 -50.88 71.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -56.83 -46.32 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.612 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.34 90.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.408 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -60.55 -41.08 93.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.065 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 N--CA 1.444 -0.743 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.674 179.808 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1187 ' ' GLN . 68.5 mm-40 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -66.34 -40.42 89.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.437 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.581 ' HB3' HD13 ' A' 1106 ' ' LEU . 88.6 mt -54.59 -50.42 68.05 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.869 176.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.9 mt-30 -63.55 -53.19 55.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.918 0.389 . . . . 0.0 111.209 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' 1192 ' ' VAL . 7.6 p -69.27 -29.19 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.41 -172.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.417 ' HB3' ' HG ' ' A' 1106 ' ' LEU . . . -60.66 -43.91 97.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.155 0.503 . . . . 0.0 110.342 175.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 59.8 mttp -72.09 -30.42 65.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.46 96.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 1188 ' ' VAL . 61.9 t -61.97 -43.05 97.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.138 0.495 . . . . 0.0 110.003 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 -38.49 87.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.994 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.75 -39.92 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.311 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.74 82.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.266 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.755 ' HB3' HG21 ' A' 1095 ' ' THR . 86.7 mt -58.34 -49.49 77.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.356 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.447 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.8 t30 -62.6 -37.81 87.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.962 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.07 -38.56 89.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.529 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.6 t -72.3 -47.3 51.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.687 HG12 HD12 ' A' 1091 ' ' LEU . 32.7 m -67.85 -21.91 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.458 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 26.3 t -76.85 -31.2 56.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.026 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1202 ' ' CYS . . . . . 0.408 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 82.8 m -86.2 -12.95 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.683 HD21 ' HG ' ' A' 1091 ' ' LEU . 77.5 mt -58.19 125.25 74.22 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.459 -0.513 0 C-N-CA 122.455 2.103 . . . . 0.0 112.146 177.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.553 ' HE3' ' HB3' ' A' 1117 ' ' ALA . 51.9 mtt -58.34 -49.52 76.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.332 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -34.87 74.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.415 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.8 m -63.54 -41.11 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -65.47 -43.8 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.324 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.567 ' HB2' HG23 ' A' 1166 ' ' ILE . 46.1 tp -54.62 -34.67 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.77 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 28.5 t -60.42 -50.37 73.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.0 m -69.89 -30.87 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.673 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.516 ' HA ' HD13 ' A' 1060 ' ' LEU . 88.8 t -65.39 -40.94 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.0 110.307 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.467 ' O ' ' HG3' ' A' 1061 ' ' GLU . 49.5 mt-30 -65.17 -36.26 83.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -65.62 -30.5 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.465 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.716 HD23 ' HG2' ' A' 1129 ' ' ARG . 93.8 mt -72.74 -50.71 22.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' 1159 ' ' LEU . 0.0 OUTLIER -61.82 -38.99 90.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.94 -177.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.95 -34.01 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.484 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' 1067 ' ' ILE . 31.6 t70 -61.22 -47.68 84.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.373 0.606 . . . . 0.0 109.649 174.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.778 HD22 ' HB1' ' A' 1132 ' ' ALA . 13.0 mt -68.11 -27.02 66.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.847 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' 1061 ' ' GLU . 15.5 mm100 -63.51 -41.46 98.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.444 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.05 -44.06 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 110.558 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' 1063 ' ' ASP . 39.5 mt -64.55 -32.76 59.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 110.336 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.73 -41.16 98.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.997 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.34 95.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.149 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.88 99.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.97 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.958 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.99 94.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.276 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.81 -46.32 18.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.16 40.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.628 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -117.86 15.17 14.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.33 -0.254 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.221 176.799 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.114 0.483 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 40.9 ttm -64.49 -43.47 94.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.782 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.18 -37.81 86.52 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.701 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.42 -53.71 55.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' 1091 ' ' LEU . 69.3 m -60.65 -46.57 89.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.49 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 13.2 p -67.67 -42.18 82.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -71.84 -48.79 43.72 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.665 0.269 . . . . 0.0 111.243 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -24.55 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.437 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.82 HD21 HD11 ' A' 1203 ' ' LEU . 14.8 tp -59.6 -40.94 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.343 0.592 . . . . 0.0 109.428 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -66.94 -32.27 80.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.757 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -67.87 -40.28 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.1 m -65.96 -37.73 86.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.871 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.691 HG21 ' HB3' ' A' 1196 ' ' LEU . 96.9 m -56.44 -43.56 79.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.634 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' 1092 ' ' GLY . 28.0 mtpp -58.67 -40.97 85.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.926 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.08 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1098 ' ' VAL . . . . . . . . . . . . . 61.5 t -63.67 -45.39 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.719 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 23.0 t -60.79 -34.09 73.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.902 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 47.3 m -75.2 -42.73 55.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.48 90.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.428 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.526 ' HA ' HD11 ' A' 1105 ' ' LEU . 25.1 pt -64.5 -23.19 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.997 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -75.17 -36.4 61.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -73.88 -27.26 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.627 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1102 ' ' ILE . 95.2 mt -64.41 -25.69 68.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.954 0.407 . . . . 0.0 110.192 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' 1102 ' ' ILE . 84.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.3 m-30 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.643 0.259 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.553 ' HB3' ' HE3' ' A' 1050 ' ' MET . . . -59.65 -46.76 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.851 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.47 -37.51 20.39 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.584 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.33 -53.29 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.28 71.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.198 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.96 71.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1122 ' ' ARG . . . . . 0.494 ' C ' ' HD3' ' A' 1122 ' ' ARG . 1.7 tmt_? -69.37 -40.37 77.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.083 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.73 -41.0 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.601 ' O ' HD21 ' A' 1128 ' ' LEU . 12.6 m -67.79 -39.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.472 175.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.663 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -55.89 -48.08 76.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -71.86 -35.55 61.7 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.792 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.4 -51.17 60.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.558 -0.353 . . . . 0.0 112.979 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' 1124 ' ' VAL . 0.3 OUTLIER -65.0 -26.37 68.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.133 0.466 . . . . 0.0 111.619 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.716 ' HG2' HD23 ' A' 1060 ' ' LEU . 46.1 mtm180 -64.9 -53.13 51.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.279 0.561 . . . . 0.0 109.709 175.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.0 m -60.21 -40.9 91.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.691 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.587 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -58.0 -51.02 71.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.831 177.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.778 ' HB1' HD22 ' A' 1064 ' ' LEU . . . -58.96 -55.17 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.122 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' 1134 ' ' ALA . 13.3 pt20 -59.35 -45.12 92.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 111.751 -172.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.569 ' N ' ' HG3' ' A' 1133 ' ' GLN . . . -66.45 -41.24 89.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.455 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.939 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' 1132 ' ' ALA . 11.8 mmm180 -70.98 -35.77 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.369 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.48 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.81 -39.0 96.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.974 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 73.8 t -55.45 -48.66 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.972 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.92 65.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.16 55.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.81 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1137 ' ' GLY . 92.7 mt -70.68 -41.0 72.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.787 -176.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.421 HG22 HG23 ' A' 1147 ' ' VAL . 9.0 t -77.77 145.96 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.8 m -115.23 23.45 12.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' 1148 ' ' GLN . 13.0 m-20 -104.59 113.09 65.34 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.479 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.5 Cg_exo -72.07 67.37 3.32 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.3 2.667 . . . . 0.0 112.45 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.22 -57.21 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.037 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' 1151 ' ' VAL . 30.8 m -66.97 -28.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.326 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.662 ' O ' ' HG ' ' A' 1152 ' ' LEU . 25.4 mt-30 -55.97 -44.93 78.99 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 121.272 0.558 . . . . 0.0 110.453 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.48 -37.42 63.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.546 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -39.43 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.673 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -70.98 -35.22 58.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.038 0.447 . . . . 0.0 110.971 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.8 mt -78.24 -42.19 31.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 0.0 110.203 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.3 -45.01 84.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.839 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.536 ' O ' HG23 ' A' 1158 ' ' VAL . 19.3 p -69.56 -39.87 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.277 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.62 88.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.233 0.54 . . . . 0.0 110.44 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 15.0 m -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.22 -40.37 86.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 1154 ' ' THR . 90.8 t -57.79 -56.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -65.36 -30.36 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.523 ' N ' HD11 ' A' 1159 ' ' LEU . 33.7 t70 -57.06 -49.94 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.107 0.479 . . . . 0.0 110.37 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.2 mptt -77.25 -32.41 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.672 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -65.13 -37.58 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.356 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 32.1 m -64.23 -45.06 89.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.272 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1164 ' ' SER . . . . . 0.54 ' O ' ' HB2' ' A' 1168 ' ' GLU . 51.7 m -73.17 -18.6 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.486 HD22 HG21 ' A' 1102 ' ' ILE . 31.5 tp -68.25 -45.3 73.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 171.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' 1054 ' ' LEU . 59.8 mt -66.78 -48.91 78.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.292 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' A' 1170 ' ' LYS . 4.2 mm-40 -63.6 -28.72 70.12 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 176.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.2 tp10 -60.41 -51.13 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.75 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.053 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1170 ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' 1167 ' ' GLU . 6.1 mmmm -50.79 -47.37 59.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.454 . . . . 0.0 110.415 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 45.8 mttp . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.587 178.012 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -56.96 -52.03 66.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.792 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.37 -47.71 75.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.601 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.51 90.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.53 63.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.06 -175.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1188 ' ' VAL . . . . . . . . . . . . . 14.5 p -77.13 -32.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.05 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.166 0.508 . . . . 0.0 109.963 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.7 ttpp -66.36 -40.07 89.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.853 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.07 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 99.3 t -63.33 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.289 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 46.0 m -57.92 -47.0 84.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.08 -35.25 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.099 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.515 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.691 ' HB3' HG21 ' A' 1095 ' ' THR . 91.3 mt -58.1 -52.38 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.495 ' HA ' HG21 ' A' 1200 ' ' VAL . 10.9 t30 -64.12 -37.45 87.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.477 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -59.55 -38.7 81.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.816 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1199 ' ' CYS . . . . . 0.515 ' O ' ' HG ' ' A' 1203 ' ' LEU . 24.4 t -74.21 -51.25 16.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 0.0 110.096 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' 1197 ' ' ASN . 21.5 m -67.15 -21.64 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.001 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 13.6 t -77.51 -41.25 39.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.662 0.268 . . . . 0.0 111.159 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1202 ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' 1154 ' ' THR . 20.9 p -86.86 -1.42 57.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.82 HD11 HD21 ' A' 1091 ' ' LEU . 57.7 mt -56.81 121.6 46.18 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1204 ' ' PRO . . . . . 0.453 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 56.8 Cg_endo . . . . . 0 N--CA 1.45 -1.054 0 C-N-CA 122.36 2.04 . . . . 0.0 110.558 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.84 0.352 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.844 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 34.6 mtt -57.94 -37.81 74.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.256 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.31 -39.75 71.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.048 0.452 . . . . 0.0 110.144 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1052 ' ' SER . . . . . 0.423 ' O ' HG21 ' A' 1056 ' ' VAL . 16.8 t -63.43 -47.23 82.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.797 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.028 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.523 ' O ' ' HG3' ' A' 1058 ' ' GLN . 58.0 tp -59.45 -39.89 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 177.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -60.92 -35.8 77.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.722 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.581 ' HA ' ' ND2' ' A' 1059 ' ' ASN . 58.3 t -65.07 -41.96 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.124 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 33.8 t -62.22 -35.28 68.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' 1054 ' ' LEU . 71.4 mt-30 -65.45 -37.95 88.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.569 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1059 ' ' ASN . . . . . 0.581 ' ND2' ' HA ' ' A' 1056 ' ' VAL . 11.7 p30 -76.46 -26.83 55.81 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.205 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' 1056 ' ' VAL . 91.3 mt -67.66 -45.46 75.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.633 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' 1065 ' ' GLN . 7.9 pt-20 -63.92 -36.96 85.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' 1058 ' ' GLN . 98.6 mttt -58.87 -48.97 79.51 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' 1067 ' ' ILE . 5.8 m-20 -62.96 -40.03 96.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.982 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.719 HD23 ' HB3' ' A' 1132 ' ' ALA . 12.2 mt -66.61 -33.23 75.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' 1061 ' ' GLU . 80.8 mm-40 -61.47 -42.64 99.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.98 -42.85 75.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.089 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' 1063 ' ' ASP . 79.4 mt -65.68 -32.39 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.502 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.08 -45.97 91.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.253 0.549 . . . . 0.0 110.161 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.09 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.492 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.41 86.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -64.88 -41.35 95.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 177.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.19 -39.38 89.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1073 ' ' ASP . . . . . 0.412 ' OD2' ' HG2' ' A' 1075 ' ' LYS . 25.0 t70 -73.43 -36.11 65.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 112.36 9.68 19.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.338 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1075 ' ' LYS . . . . . 0.412 ' HG2' ' OD2' ' A' 1073 ' ' ASP . 31.6 mmmt -92.36 10.6 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 111.166 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 47.1 tp . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.801 0.334 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.14 -33.99 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.58 -36.03 68.89 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.252 0.345 . . . . 0.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1086 ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' 1086 ' ' LYS . 29.1 mtpt -66.71 -50.45 62.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.599 177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 63.9 m -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.7 p -69.42 -34.55 74.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.045 0.45 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.76 -44.2 50.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.207 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.55 -36.26 82.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.409 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.458 HD23 HD11 ' A' 1203 ' ' LEU . 15.7 tp -61.26 -40.98 96.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.41 67.67 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.846 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.39 -44.43 95.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.636 0.255 . . . . 0.0 111.121 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.526 ' O ' HG11 ' A' 1098 ' ' VAL . 6.2 p -64.88 -43.13 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.488 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.689 HG23 ' HB3' ' A' 1196 ' ' LEU . 53.2 m -53.59 -51.8 61.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.581 174.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.45 -41.19 93.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.32 -58.77 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.268 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.538 HG23 HG12 ' A' 1124 ' ' VAL . 8.1 p -68.01 -30.01 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.213 -176.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.0 t -62.5 -34.16 76.32 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.374 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.24 -31.38 60.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.217 0.532 . . . . 0.0 110.274 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.432 ' HB1' ' OD2' ' A' 1123 ' ' ASP . . . -76.05 -43.84 41.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.667 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 26.7 pt -62.79 -25.27 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.681 0.277 . . . . 0.0 110.914 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.27 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.437 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 74.2 mmtt -76.76 -36.52 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.772 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.552 HD22 ' HE2' ' A' 1050 ' ' MET . 96.2 mt -63.7 -37.11 86.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.282 0.563 . . . . 0.0 110.241 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.624 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 44.6 tp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.559 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.844 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -62.0 -41.58 98.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.663 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.59 -44.08 65.38 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.109 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.61 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.675 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1120 ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -66.38 -37.68 85.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.428 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.04 94.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 110.735 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -67.72 -35.1 78.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.317 0.579 . . . . 0.0 109.996 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1123 ' ' ASP . . . . . 0.432 ' OD2' ' HB1' ' A' 1101 ' ' ALA . 25.9 t70 -73.91 -39.35 63.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.354 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.66 ' O ' ' HG ' ' A' 1128 ' ' LEU . 29.6 m -62.33 -40.32 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.568 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.7 87.81 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.849 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.28 97.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.302 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.73 72.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.215 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' 1124 ' ' VAL . 88.4 mt -64.36 -41.07 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' 1133 ' ' GLN . 19.7 ptt85 -65.2 -40.06 93.65 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.988 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1130 ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' 1094 ' ' SER . 16.4 m -66.32 -39.61 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.431 HD21 HD13 ' A' 1091 ' ' LEU . 0.5 OUTLIER -57.23 -48.41 78.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.492 176.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.719 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.302 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 1129 ' ' ARG . 25.6 mt-30 -60.55 -44.29 96.29 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.8 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.66 94.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.791 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.01 -34.44 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.133 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.8 mmp_? -65.14 -44.38 88.79 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.128 0.489 . . . . 0.0 110.018 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.73 88.33 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.355 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.2 t -54.06 -46.24 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.26 94.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.443 . . . . 0.0 111.397 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.21 59.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.266 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 75.4 mt -85.42 -37.35 19.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.3 t -72.61 150.68 42.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 0.0 110.319 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1143 ' ' SER . . . . . 0.425 ' O ' ' HD3' ' A' 1145 ' ' PRO . 19.9 m -105.15 5.27 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.454 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.6 t70 -92.85 108.86 35.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.528 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' 1143 ' ' SER . 2.9 Cg_exo -76.25 66.17 7.09 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.673 2.248 . . . . 0.0 111.621 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.42 -46.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.261 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' 1151 ' ' VAL . 23.8 m -72.98 -23.08 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 173.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.68 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.9 mt-30 -57.76 -55.07 39.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.33 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.9 OUTLIER -72.54 -46.53 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.618 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' 1147 ' ' VAL . 2.7 p -63.93 -32.59 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.814 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.6 mt -73.97 -43.85 56.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.699 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.85 -43.1 84.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.652 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.503 ' O ' HG23 ' A' 1158 ' ' VAL . 5.7 p -59.93 -40.2 88.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.482 0.182 . . . . 0.0 111.311 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1155 ' ' ALA . . . . . 0.444 ' HB2' ' NH2' ' A' 1136 ' ' ARG . . . -63.91 -31.24 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.443 . . . . 0.0 110.93 176.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.1 t -71.36 -35.15 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.7 -39.61 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.073 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' 1154 ' ' THR . 97.7 t -53.26 -57.11 5.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 177.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.511 HD22 HD13 ' A' 1064 ' ' LEU . 4.4 pp -69.4 -30.25 68.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.068 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.511 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -57.98 -49.36 77.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.006 0.431 . . . . 0.0 110.624 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.517 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.3 mptt -70.39 -36.65 74.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.362 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.4 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 37.1 m -63.37 -51.61 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.845 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 14.3 m -61.91 -29.26 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.744 ' HG ' HG12 ' A' 1188 ' ' VAL . 1.6 tt -65.49 -49.76 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.439 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.8 mt -70.38 -38.78 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.007 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' 1170 ' ' LYS . 46.9 mt-10 -66.5 -39.35 88.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.063 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.0 -35.6 81.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 110.13 174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.06 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1170 ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' 1167 ' ' GLU . 21.9 mmtp -60.84 -35.67 77.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 110.075 172.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.647 176.495 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.897 0.379 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -64.5 -37.29 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.435 ' HA ' HG11 ' A' 1188 ' ' VAL . 14.2 tp -62.26 -33.8 75.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1186 ' ' ALA . . . . . 0.624 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -70.46 -43.08 70.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.566 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -67.25 -46.54 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.744 HG12 ' HG ' ' A' 1165 ' ' LEU . 8.7 p -67.57 -33.04 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.599 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.46 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -61.1 -42.57 98.77 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.294 0.569 . . . . 0.0 110.047 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.01 -34.91 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.407 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.55 88.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.609 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' 1188 ' ' VAL . 67.7 t -63.59 -39.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.333 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 41.6 m -57.56 -42.38 82.9 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.546 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.39 -35.08 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.221 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.69 92.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.34 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.689 ' HB3' HG23 ' A' 1095 ' ' THR . 83.4 mt -57.51 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.633 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.526 ' HA ' HG21 ' A' 1200 ' ' VAL . 0.0 OUTLIER -64.07 -36.15 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.47 -178.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.69 -33.7 74.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.624 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.1 t -76.61 -49.54 16.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.5 . . . . 0.0 109.873 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.526 HG21 ' HA ' ' A' 1197 ' ' ASN . 24.2 m -68.46 -23.16 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.356 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 14.5 t -77.53 -24.19 50.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.78 0.324 . . . . 0.0 110.375 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 87.1 m -78.88 -6.09 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.458 HD11 HD23 ' A' 1091 ' ' LEU . 91.4 mt -62.73 130.57 93.84 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1204 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 51.7 Cg_exo . . . . . 0 C--O 1.236 0.417 0 C-N-CA 123.134 2.556 . . . . 0.0 112.696 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.776 0.322 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.556 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 53.7 mtt -63.37 -45.81 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.3 -38.63 81.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 36.0 m -69.58 -35.18 75.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.862 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' 1057 ' ' VAL . . . -68.33 -35.03 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.404 HD13 ' HB ' ' A' 1166 ' ' ILE . 36.2 tp -57.4 -42.5 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.662 178.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 42.1 m -58.62 -41.18 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.588 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' 1060 ' ' LEU . 51.0 t -65.34 -47.75 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.712 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' 1053 ' ' ALA . 70.9 t -58.38 -47.13 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.428 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 111.45 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1059 ' ' ASN . . . . . 0.529 ' HA ' ' HD3' ' A' 1062 ' ' LYS . 16.4 m-80 -76.3 -28.52 57.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.689 0.28 . . . . 0.0 111.188 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' 1064 ' ' LEU . 95.9 mt -64.56 -47.01 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.601 ' HB3' HD11 ' A' 1159 ' ' LEU . 14.9 pt-20 -69.76 -29.3 66.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 110.856 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' 1059 ' ' ASN . 46.6 mtpt -57.75 -43.87 85.7 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.126 0.489 . . . . 0.0 110.319 173.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.474 ' O ' HG13 ' A' 1067 ' ' ILE . 29.5 t70 -64.69 -43.74 92.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.439 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.89 HD23 ' HB1' ' A' 1132 ' ' ALA . 16.2 mt -64.47 -33.96 77.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.389 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' 1068 ' ' LYS . 54.8 mt-30 -64.58 -39.66 94.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.765 0.317 . . . . 0.0 110.754 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.64 -32.66 71.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.07 0.462 . . . . 0.0 110.25 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' 1063 ' ' ASP . 75.3 mt -70.32 -44.52 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.629 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' 1065 ' ' GLN . 19.1 pttp -70.3 -28.72 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.359 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.273 0.558 . . . . 0.0 110.196 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -71.21 -33.51 69.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.43 -35.02 75.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -53.2 56.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.534 174.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.07 -40.45 82.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.43 16.09 6.19 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.158 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -86.94 -71.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.637 0.256 . . . . 0.0 110.882 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.485 HD13 ' NE2' ' A' 1148 ' ' GLN . 8.7 mt . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.814 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1083 ' ' THR . . . . . 0.575 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 25.5 p . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.45 -43.1 98.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.793 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.575 ' OE1' ' HB ' ' A' 1083 ' ' THR . 1.5 pm0 -63.92 -27.13 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 111.127 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1086 ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' A' 1086 ' ' LYS . 7.8 mtpm? -79.89 -41.98 25.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 0.0 110.293 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 8.6 t -67.15 -35.43 79.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.976 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.9 p -69.56 -30.08 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -71.3 -45.05 63.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.711 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.94 -34.42 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.091 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.839 HD21 HD13 ' A' 1203 ' ' LEU . 26.1 tp -60.84 -53.0 62.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 175.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -66.9 -31.15 77.33 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.555 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -65.55 -45.08 84.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.322 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.7 m -65.53 -33.49 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.221 0.534 . . . . 0.0 109.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.718 HG22 ' HB3' ' A' 1196 ' ' LEU . 51.6 m -57.77 -51.67 68.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.814 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -60.12 -36.38 77.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.21 40.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.598 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.6 p -73.04 -23.79 20.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.271 -177.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.6 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.73 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 25.1 m -72.21 -35.91 69.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.172 0.51 . . . . 0.0 110.14 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.55 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' 1098 ' ' VAL . 14.2 pt -61.74 -36.99 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.352 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.69 90.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.981 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.8 -22.57 56.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.758 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.432 HD12 ' HE3' ' A' 1050 ' ' MET . 41.4 tp -57.28 -25.45 59.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.489 0.316 . . . . 0.0 111.327 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.871 ' HG ' ' HG ' ' A' 1185 ' ' LEU . 10.3 mp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.377 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.037 0.446 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.556 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -62.81 -36.26 82.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.831 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -63.62 -48.39 77.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.013 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.29 -41.53 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.38 93.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.271 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.423 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.48 -26.88 67.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1122 ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' 1122 ' ' ARG . 52.5 mtp85 -77.83 -44.35 27.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.6 -38.02 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.904 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.73 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.4 m -60.41 -46.56 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.83 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.29 95.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.69 0.281 . . . . 0.0 110.525 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.84 -41.24 98.88 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.184 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1127 ' ' GLY . . . . . 0.483 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -67.45 -44.1 84.95 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.295 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.8 mt -66.48 -41.73 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -65.47 -35.6 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.967 0.413 . . . . 0.0 110.363 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 19.3 m -74.86 -37.4 62.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.909 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -49.95 75.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.353 175.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.89 ' HB1' HD23 ' A' 1064 ' ' LEU . . . -56.25 -51.32 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.64 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.843 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 70.7 mt-30 -66.53 -34.32 77.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.893 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.27 77.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 0.0 110.78 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1135 ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' 1151 ' ' VAL . . . -65.97 -39.02 90.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.843 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 45.2 mtp180 -57.38 -46.65 83.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.469 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -56.94 -48.51 78.48 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.011 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.9 t -57.5 -46.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.48 87.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.878 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.73 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.587 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.7 mt -76.42 -35.43 58.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.366 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.578 HG21 ' HG2' ' A' 1148 ' ' GLN . 10.6 t -77.5 143.01 38.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 14.3 m -103.53 17.84 23.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.476 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.619 ' O ' ' HG3' ' A' 1148 ' ' GLN . 49.9 m-20 -108.17 108.69 61.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.54 -177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.74 67.62 2.3 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.897 2.398 . . . . 0.0 112.361 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.42 -48.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.062 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.41 ' O ' HG11 ' A' 1151 ' ' VAL . 27.3 m -78.85 -22.1 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.643 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.619 ' HG3' ' O ' ' A' 1144 ' ' ASP . 43.8 mt-30 -62.08 -47.07 86.29 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.63 -30.66 64.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.776 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -38.88 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.421 -176.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.456 HG21 ' HB1' ' A' 1135 ' ' ALA . 2.7 p -69.75 -34.67 61.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.078 0.466 . . . . 0.0 110.63 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.6 mt -76.22 -40.93 50.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 110.189 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.51 -48.5 81.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.893 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.414 ' O ' HG23 ' A' 1158 ' ' VAL . 13.8 p -64.0 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.815 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.61 89.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.504 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1156 ' ' SER . . . . . 0.54 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 63.7 m -64.24 -35.26 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.762 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' 1161 ' ' LYS . 15.7 t70 -66.46 -31.37 72.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.964 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1154 ' ' THR . 94.5 t -61.99 -56.68 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.234 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' 1061 ' ' GLU . 1.6 pt? -78.12 -29.51 48.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.461 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' A' 1157 ' ' ASP . 0.0 OUTLIER -67.0 -31.61 72.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.955 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' 1157 ' ' ASP . 13.1 mptt -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 173.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 42.7 t -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.721 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1164 ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' 1168 ' ' GLU . 21.8 m -70.12 -19.96 63.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.651 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' 1162 ' ' ALA . 48.0 tp -71.91 -45.85 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.431 HG12 HD21 ' A' 1105 ' ' LEU . 52.3 mt -65.3 -42.72 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' 1170 ' ' LYS . 44.7 mt-10 -67.37 -36.47 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.4 tp10 -60.56 -38.47 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.94 77.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.767 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1170 ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' 1167 ' ' GLU . 19.8 mmmt -56.98 -46.0 82.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.648 174.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.12 179.302 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' 1187 ' ' GLN . 29.7 mm-40 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.361 0.124 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -64.01 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.871 ' HG ' ' HG ' ' A' 1106 ' ' LEU . 30.7 tp -61.96 -38.35 88.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1186 ' ' ALA . . . . . 0.728 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -72.46 -39.32 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.327 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' 1183 ' ' GLN . 27.1 mt-30 -61.79 -45.72 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.235 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.427 HG12 HD13 ' A' 1165 ' ' LEU . 14.8 p -69.55 -30.86 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' 1106 ' ' LEU . . . -65.51 -44.52 86.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.935 0.398 . . . . 0.0 110.215 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' 1194 ' ' GLN . 9.5 mtmp? -64.27 -30.49 71.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 25.4 t -66.94 -44.01 88.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.853 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1193 ' ' THR . . . . . 0.485 ' HA ' HD13 ' A' 1196 ' ' LEU . 17.0 m -59.24 -40.58 86.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1194 ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' 1190 ' ' LYS . 70.2 mm-40 -67.85 -40.69 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.272 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.718 ' HB3' HG22 ' A' 1095 ' ' THR . 78.0 mt -55.28 -52.09 64.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.859 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.486 ' HA ' HG21 ' A' 1200 ' ' VAL . 8.3 t30 -65.99 -36.66 83.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -60.08 -35.15 74.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.699 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 31.0 t -74.71 -51.6 13.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 109.872 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' 1197 ' ' ASN . 25.6 m -66.32 -21.68 29.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.495 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 25.7 t -77.28 -37.61 52.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.564 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 82.0 m -82.4 -2.28 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.839 HD13 HD21 ' A' 1091 ' ' LEU . 79.2 mt -62.98 128.84 92.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.348 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo . . . . . 0 N--CA 1.461 -0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 111.063 176.143 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.342 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.73 ' HE2' ' HB1' ' A' 1117 ' ' ALA . 60.1 mtt -47.23 -38.42 12.2 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.331 170.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.76 -46.06 81.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.377 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 5.4 m -60.64 -46.23 91.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.46 ' O ' HG21 ' A' 1057 ' ' VAL . . . -68.62 -41.13 79.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.682 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' 1166 ' ' ILE . 66.4 tp -56.95 -42.62 80.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.68 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 35.4 t -58.12 -43.57 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.269 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' 1060 ' ' LEU . 64.3 t -64.22 -48.29 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.855 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' 1053 ' ' ALA . 65.1 t -57.19 -44.95 84.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.151 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' 1062 ' ' LYS . 76.4 mt-30 -60.4 -34.66 74.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.28 -22.89 57.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.964 0.411 . . . . 0.0 110.606 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.615 ' O ' ' HG ' ' A' 1064 ' ' LEU . 96.1 mt -76.5 -54.99 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.429 ' HB3' ' HB2' ' A' 1159 ' ' LEU . 0.5 OUTLIER -56.57 -41.01 76.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -178.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' 1058 ' ' GLN . 51.0 mttm -74.48 -24.35 59.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' 1067 ' ' ILE . 23.9 t0 -71.76 -40.25 69.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' 1060 ' ' LEU . 18.9 mt -69.13 -35.87 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.705 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' 1062 ' ' LYS . 10.9 pt20 -65.42 -33.85 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.534 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.36 -44.0 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' 1064 ' ' LEU . 33.3 mt -65.06 -37.97 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.004 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 32.8 ttmt -57.65 -47.19 82.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.162 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.3 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.9 94.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.992 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' 1148 ' ' GLN . . . -72.02 -30.39 65.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.246 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.075 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1073 ' ' ASP . . . . . 0.446 ' OD1' ' HE2' ' A' 1075 ' ' LYS . 12.8 t70 -75.99 -63.51 1.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.358 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 142.1 34.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1075 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1073 ' ' ASP . 75.1 mmtt -104.6 1.04 29.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.706 0.289 . . . . 0.0 110.643 -176.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' 1071 ' ' ALA . 21.9 tp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1084 ' ' MET . . . . . 0.526 ' HE2' ' HB ' ' A' 1142 ' ' THR . 46.1 ttm -72.77 -29.42 63.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -55.02 -47.61 74.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.572 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -63.62 -43.68 96.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.604 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 67.3 m -64.39 -44.18 92.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.406 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 30.5 p -69.34 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.441 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -70.3 -47.02 63.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.171 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -38.91 89.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.413 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.834 HD21 HD12 ' A' 1203 ' ' LEU . 15.2 tp -60.59 -52.56 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.746 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.445 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -57.5 -40.97 93.14 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.75 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.31 -46.41 73.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.426 ' O ' HG13 ' A' 1098 ' ' VAL . 57.6 m -59.93 -34.94 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.912 HG22 ' HB3' ' A' 1196 ' ' LEU . 87.6 m -56.65 -52.07 66.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.708 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 63.2 mttm -64.51 -36.62 84.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.8 54.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.517 HG22 HD21 ' A' 1128 ' ' LEU . 7.5 p -73.46 -24.7 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.084 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 66.3 m -63.96 -36.63 84.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.164 0.506 . . . . 0.0 110.26 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 19.7 m -70.99 -25.59 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.953 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.29 23.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.697 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.6 pt -64.45 -25.54 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.243 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.54 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.947 0.403 . . . . 0.0 110.523 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.652 ' HB2' ' HB1' ' A' 1120 ' ' ALA . 80.1 mttt -75.84 -34.73 60.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.137 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' 1120 ' ' ALA . 72.4 mt -72.55 -26.81 61.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.54 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 38.0 tp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.717 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.73 ' HB1' ' HE2' ' A' 1050 ' ' MET . . . -61.46 -39.46 90.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.525 . . . . 0.0 110.237 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -79.91 -34.43 30.65 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.45 -49.41 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.509 . . . . 0.0 109.953 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1120 ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' 1104 ' ' LYS . . . -67.98 -32.56 73.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.396 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.638 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -62.6 -37.37 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.706 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.25 -26.12 42.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.267 0.556 . . . . 0.0 109.893 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -75.52 -44.66 42.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.952 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.702 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.3 m -61.59 -41.73 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.751 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.68 -43.12 72.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.3 -47.27 86.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.161 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.08 94.17 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.35 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' 1124 ' ' VAL . 73.0 mt -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' 1125 ' ' ALA . 36.9 mtm180 -61.75 -53.03 61.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -59.36 -39.55 83.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.703 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.411 HD22 HD13 ' A' 1091 ' ' LEU . 1.2 tm? -58.57 -53.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.994 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' 1064 ' ' LEU . . . -57.55 -53.41 58.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.248 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.751 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 15.5 mm100 -64.66 -34.54 78.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.03 85.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1135 ' ' ALA . . . . . 0.447 ' HB3' HG21 ' A' 1151 ' ' VAL . . . -67.36 -36.93 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.751 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 19.9 mtp180 -59.41 -44.53 92.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.461 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.63 -47.53 90.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.875 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 76.5 t -54.23 -46.22 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.734 0.302 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1139 ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.38 -45.48 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.061 -177.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.2 61.26 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.348 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 96.9 mt -75.36 -41.99 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.566 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.567 HG21 HG13 ' A' 1147 ' ' VAL . 9.7 t -70.21 147.33 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 110.724 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 6.3 p -98.47 -0.08 44.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.051 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.8 t70 -83.54 114.35 52.93 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -77.6 65.46 8.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.581 2.187 . . . . 0.0 111.693 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -174.01 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.962 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.567 HG13 HG21 ' A' 1142 ' ' THR . 2.2 t -59.44 -36.19 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.644 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.5 mt-30 -52.43 -46.76 66.51 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.77 62.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.631 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -70.38 -33.46 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' 1148 ' ' GLN . 43.0 mt -78.37 -41.05 34.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.235 0.54 . . . . 0.0 110.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1153 ' ' ASP . . . . . 0.651 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 30.3 t70 -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.881 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.536 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 17.5 p -68.54 -41.71 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.044 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.96 94.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.747 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -68.85 -30.3 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.936 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.25 -40.17 93.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 97.9 t -59.31 -46.75 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.388 174.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' 1061 ' ' GLU . 12.1 mt -71.07 -31.58 68.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.81 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -40.98 73.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.522 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -79.8 -39.35 31.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.641 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.12 91.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.448 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 47.7 m -59.7 -44.78 93.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.014 0.435 . . . . 0.0 110.167 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1164 ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' 1168 ' ' GLU . 16.5 m -69.95 -25.25 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.231 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.11 -49.62 66.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.561 ' HB ' HD13 ' A' 1054 ' ' LEU . 63.9 mt -67.99 -42.27 85.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.583 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.69 -38.02 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.187 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' 1164 ' ' SER . 6.1 tp10 -57.39 -47.22 82.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1169 ' ' ALA . . . . . 0.588 ' HB1' HD13 ' A' 1185 ' ' LEU . . . -67.41 -33.63 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.62 -41.69 91.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.416 177.389 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -63.49 -41.48 98.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.588 HD13 ' HB1' ' A' 1169 ' ' ALA . 4.0 mm? -60.95 -42.33 98.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1186 ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -60.13 -42.01 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.5 -51.27 61.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.381 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.501 ' O ' HG22 ' A' 1192 ' ' VAL . 12.0 p -71.87 -33.69 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.626 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 92.99 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 110.609 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' 1194 ' ' GLN . 97.3 mttt -70.07 -34.48 73.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.15 82.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' 1188 ' ' VAL . 49.8 t -61.41 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.853 175.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 29.1 m -60.45 -38.98 85.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1194 ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' 1190 ' ' LYS . 30.1 mm-40 -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.497 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' 1198 ' ' ARG . . . -60.93 -41.72 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.912 ' HB3' HG22 ' A' 1095 ' ' THR . 76.7 mt -62.34 -47.91 82.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.688 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.08 -32.21 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 109.701 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1198 ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' 1195 ' ' ALA . 34.7 ttm180 -63.32 -32.93 74.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.398 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1199 ' ' CYS . . . . . 0.536 ' SG ' ' HB ' ' A' 1154 ' ' THR . 91.4 m -73.29 -51.94 15.72 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.541 -177.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.408 ' HA ' ' CD1' ' A' 1203 ' ' LEU . 24.4 m -69.53 -21.96 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.244 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.1 t -73.07 -42.78 62.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.0 p -80.4 -4.85 55.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.791 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.834 HD12 HD21 ' A' 1091 ' ' LEU . 97.2 mt -64.97 134.05 95.95 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.688 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.46 -0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.108 176.412 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1049 ' ' GLU . . . . . 0.56 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 19.1 mm-40 . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.921 0.391 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.582 ' HE1' ' HB2' ' A' 1117 ' ' ALA . 55.3 mtt -65.83 -34.83 79.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.89 -40.5 63.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.765 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 9.0 p -69.66 -40.05 76.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.483 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.506 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.471 ' HA ' HG12 ' A' 1057 ' ' VAL . 47.7 tp -61.0 -41.67 96.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.351 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 22.2 t -60.52 -43.19 97.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' 1060 ' ' LEU . 97.9 t -62.52 -52.08 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.088 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.5 p -64.73 -33.59 64.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -175.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.553 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 42.6 mt-30 -67.27 -33.73 75.94 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.903 0.383 . . . . 0.0 110.772 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -71.95 -29.77 64.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.865 0.364 . . . . 0.0 110.555 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.8 mt -72.21 -48.68 41.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.743 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.772 ' HB3' HD13 ' A' 1159 ' ' LEU . 9.3 pt-20 -61.88 -46.68 88.35 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.957 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.632 ' HB3' ' HZ2' ' A' 1062 ' ' LYS . 10.0 mtpm? -56.91 -41.36 78.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.756 0.313 . . . . 0.0 111.257 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.402 ' OD2' HD13 ' A' 1067 ' ' ILE . 20.7 t70 -64.5 -47.96 76.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.288 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.716 HD11 HD23 ' A' 1159 ' ' LEU . 31.4 mt -67.57 -29.43 68.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.9 mt-30 -61.76 -38.03 86.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.05 -44.89 36.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.399 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.643 HD11 HD22 ' A' 1064 ' ' LEU . 96.5 mt -59.64 -38.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' 1152 ' ' LEU . 38.2 ttpt -65.93 -41.5 91.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.604 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.77 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.507 . . . . 0.0 109.968 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.83 78.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.675 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.415 ' HA ' ' HG ' ' A' 1076 ' ' LEU . . . -63.62 -41.73 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.997 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -65.07 -40.57 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.485 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.77 -26.73 37.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 111.554 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 99.05 31.78 6.11 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.263 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.98 13.9 31.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' 1071 ' ' ALA . 80.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 53.2 ttm -58.62 -30.54 67.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.015 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.19 -43.84 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -72.52 -40.99 66.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' 1091 ' ' LEU . 78.9 m -60.56 -44.56 96.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 37.1 p -72.11 -38.53 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.46 -50.62 66.79 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.17 -27.61 63.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.171 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.586 HD22 HD13 ' A' 1203 ' ' LEU . 22.9 tp -60.99 -52.52 64.66 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -60.09 -38.76 94.83 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.044 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -63.25 -46.96 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.546 0.212 . . . . 0.0 110.661 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.417 ' O ' HG12 ' A' 1098 ' ' VAL . 49.8 m -63.9 -35.9 82.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.561 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.903 HG22 ' HB3' ' A' 1196 ' ' LEU . 90.4 m -55.78 -55.48 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.551 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.22 79.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.08 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.391 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.461 HG21 HD23 ' A' 1128 ' ' LEU . 8.4 p -73.11 -23.18 19.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.92 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.7 m -63.52 -35.74 81.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.016 0.436 . . . . 0.0 110.437 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 22.6 t -75.31 -35.39 61.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.226 0.536 . . . . 0.0 109.766 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.69 81.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.52 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' 1106 ' ' LEU . 33.3 pt -64.95 -25.61 38.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.069 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.91 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 110.777 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -75.98 -33.16 59.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.322 0.582 . . . . 0.0 109.985 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.537 HD13 ' HE3' ' A' 1050 ' ' MET . 21.2 tp -67.91 -24.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.55 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' 1102 ' ' ILE . 51.4 mt . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.513 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.582 ' HB2' ' HE1' ' A' 1050 ' ' MET . . . -53.35 -45.58 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.965 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1118 ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -76.66 -40.82 25.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.57 -48.99 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.969 0.414 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.52 78.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.461 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.13 -35.34 79.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 111.091 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -73.89 -32.58 63.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.099 0.476 . . . . 0.0 110.191 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 23.1 t70 -78.22 -36.26 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.323 -174.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.739 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.7 m -62.4 -42.81 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.245 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' 1129 ' ' ARG . . . -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.43 94.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.302 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.46 -37.61 79.04 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.933 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' 1124 ' ' VAL . 64.4 mt -73.94 -37.14 64.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' 1125 ' ' ALA . 10.0 ptm180 -67.08 -38.32 85.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.503 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.7 m -69.51 -36.57 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.177 0.513 . . . . 0.0 109.909 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.491 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -61.38 -52.76 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.561 176.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.442 ' HB1' HD23 ' A' 1064 ' ' LEU . . . -56.87 -45.91 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.759 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.44 -43.16 97.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.673 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.91 75.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.05 71.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.722 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.407 ' HA ' HD21 ' A' 1152 ' ' LEU . 33.7 ptt180 -67.83 -23.74 65.2 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.71 0.29 . . . . 0.0 110.761 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.528 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.25 -49.01 49.01 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 69.3 t -53.56 -45.88 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.13 93.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.102 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.82 -26.37 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.466 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' 1137 ' ' GLY . 89.8 mt -79.89 -37.36 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.429 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.459 HG22 HG21 ' A' 1147 ' ' VAL . 9.0 t -80.56 150.19 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.776 0.322 . . . . 0.0 110.414 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 p -111.85 4.31 18.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 11.2 t70 -80.2 118.93 74.79 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -72.96 67.19 4.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.843 2.362 . . . . 0.0 112.048 178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1146 ' ' ALA . . . . . 0.4 ' HB2' ' OD2' ' A' 1144 ' ' ASP . . . -169.19 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.408 176.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.581 ' O ' HG11 ' A' 1151 ' ' VAL . 18.8 m -66.02 -28.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.239 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.582 ' O ' ' HG ' ' A' 1152 ' ' LEU . 48.9 mt-30 -54.18 -52.11 62.23 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.335 0.588 . . . . 0.0 110.463 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.59 -34.15 60.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.564 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -38.43 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.581 HG11 ' O ' ' A' 1147 ' ' VAL . 5.1 p -69.79 -36.12 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 0.0 110.494 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.8 mt -76.71 -42.69 40.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.94 -41.76 83.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.411 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.535 ' O ' HG22 ' A' 1158 ' ' VAL . 4.6 p -70.74 -44.94 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.243 -0.183 . . . . 0.0 111.019 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.08 96.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.195 0.521 . . . . 0.0 110.856 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 19.0 t -66.48 -37.19 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.902 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.1 -34.77 78.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 110.357 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' 1154 ' ' THR . 93.5 t -57.85 -62.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.623 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' 1061 ' ' GLU . 2.9 pp -67.21 -29.38 69.02 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.49 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.549 ' N ' HD12 ' A' 1159 ' ' LEU . 24.1 t70 -54.97 -47.33 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 110.451 174.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -77.68 -35.22 52.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1162 ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' 1159 ' ' LEU . . . -67.72 -35.5 78.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 0.0 111.61 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 10.1 t -63.8 -40.54 96.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -71.59 -30.54 65.95 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.732 ' HG ' HG12 ' A' 1188 ' ' VAL . 0.5 OUTLIER -61.61 -48.55 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.89 -48.69 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.968 175.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.657 ' HB3' ' HE2' ' A' 1171 ' ' LYS . 10.8 mm-40 -65.46 -52.3 54.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.803 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.42 -34.27 64.28 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.417 0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1169 ' ' ALA . . . . . 0.643 ' HA ' HD22 ' A' 1185 ' ' LEU . . . -56.64 -53.33 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.174 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1170 ' ' LYS . . . . . 0.697 ' HZ1' ' HB2' ' A' 1170 ' ' LYS . 10.6 mtmp? -70.65 -24.69 62.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.192 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.657 ' HE2' ' HB3' ' A' 1167 ' ' GLU . 64.2 mttm . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.484 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' 1187 ' ' GLN . 4.7 tt0 . . . . . 0 N--CA 1.43 -1.438 0 CA-C-O 120.786 0.327 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' 1184 ' ' ARG . 2.8 mmp_? -52.05 -47.79 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.984 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' 1169 ' ' ALA . 46.6 mt -70.38 -40.68 73.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.955 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1186 ' ' ALA . . . . . 0.475 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -60.65 -35.11 75.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.628 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.9 mt-30 -73.46 -50.15 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.732 HG12 ' HG ' ' A' 1165 ' ' LEU . 8.4 p -69.58 -32.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.549 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.575 ' CB ' HD23 ' A' 1106 ' ' LEU . . . -62.66 -40.77 98.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.26 -31.77 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.838 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.9 96.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.05 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.569 HG21 HD11 ' A' 1165 ' ' LEU . 52.5 t -64.0 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 26.0 m -57.81 -45.38 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -69.69 -38.7 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.726 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.903 ' HB3' HG22 ' A' 1095 ' ' THR . 59.6 mt -58.11 -49.55 76.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.374 0.607 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.919 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.54 -28.85 65.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 12.8 t -73.16 -47.02 47.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.4 m -71.31 -22.7 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.389 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 35.3 t -77.63 -35.94 52.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.038 0.447 . . . . 0.0 110.82 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 86.3 m -86.06 -0.94 56.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.636 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.586 HD13 HD22 ' A' 1091 ' ' LEU . 65.0 mt -56.98 120.37 37.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.425 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1204 ' ' PRO . . . . . 0.425 ' HB3' HG11 ' A' 1147 ' ' VAL . 60.5 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.768 2.312 . . . . 0.0 112.013 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.74 0.781 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.673 ' HB3' HG23 ' A' 1166 ' ' ILE . 62.3 mtt -78.11 -30.64 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.742 176.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.42 -41.38 93.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.393 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 19.5 m -58.81 -39.57 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.461 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' 1125 ' ' ALA . . . -76.09 -37.29 58.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.141 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.46 ' HB2' HG21 ' A' 1166 ' ' ILE . 64.3 tp -58.5 -40.6 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.784 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 41.6 t -56.95 -44.73 82.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 48.5 t -61.73 -46.99 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.341 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.568 HG13 HD11 ' A' 1159 ' ' LEU . 86.2 t -55.7 -49.1 76.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.059 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.8 -34.65 65.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.743 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.25 -45.74 31.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.637 0.256 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' 1064 ' ' LEU . 93.8 mt -57.91 -47.3 83.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.505 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' 1065 ' ' GLN . 8.1 pt-20 -61.71 -44.37 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.852 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.483 ' HA ' ' OE1' ' A' 1065 ' ' GLN . 65.1 mttp -64.72 -36.31 83.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.478 ' O ' HG13 ' A' 1067 ' ' ILE . 30.5 t70 -60.4 -48.81 80.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.333 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' 1132 ' ' ALA . 17.1 mt -66.93 -25.44 66.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.0 mt-30 -67.55 -35.82 79.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.046 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.07 -39.24 60.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.153 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.482 HG23 HD11 ' A' 1152 ' ' LEU . 59.0 mt -66.26 -33.26 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.313 178.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1068 ' ' LYS . . . . . 0.577 ' HA ' HD13 ' A' 1152 ' ' LEU . 39.9 ttpt -65.18 -36.05 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.145 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1069 ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' 1072 ' ' ARG . . . -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.031 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1070 ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -60.42 -29.45 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.241 176.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.89 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' 1069 ' ' ALA . 0.0 OUTLIER -67.08 -36.48 82.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -178.474 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -78.18 -17.52 56.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.167 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 77.13 38.33 30.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.542 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1075 ' ' LYS . . . . . 0.465 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 98.8 mttt -95.62 -6.7 39.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' 1076 ' ' LEU . 38.7 mt . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.533 . . . . 0.0 111.213 -176.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 59.6 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.4 ttm -63.65 -26.82 68.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.147 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.51 -55.78 27.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.147 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -65.77 -38.88 90.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.829 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.401 ' O ' ' HB1' ' A' 1134 ' ' ALA . 70.9 m -60.57 -51.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.282 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 32.5 p -68.05 -39.12 83.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 111.057 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -64.4 -53.13 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.868 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.72 -28.51 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.743 HD21 HD12 ' A' 1203 ' ' LEU . 12.9 tp -61.38 -50.6 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.558 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -64.44 -40.08 97.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.158 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -64.42 -40.21 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.773 -0.251 . . . . 0.0 111.076 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.5 m -64.84 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.602 HG22 ' HB3' ' A' 1196 ' ' LEU . 97.4 m -58.91 -49.39 77.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.45 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' 1092 ' ' GLY . 57.4 mttm -57.93 -42.39 84.75 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.54 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.572 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.427 ' HA ' ' HB3' ' A' 1101 ' ' ALA . 13.3 p -69.73 -22.83 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 29.8 t -58.65 -45.48 89.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.25 0.548 . . . . 0.0 110.19 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -74.46 -29.77 61.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.049 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -65.45 -50.76 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.465 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.54 -31.29 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.312 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.23 98.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 110.761 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -75.65 -24.3 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.17 -25.79 63.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.003 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' 1186 ' ' ALA . 8.7 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--O 1.224 -0.266 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.88 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.37 -45.39 8.09 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.633 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -52.53 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.522 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1120 ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' 1123 ' ' ASP . . . -71.39 -27.83 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.102 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.656 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -62.41 -40.49 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 110.299 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -34.02 47.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1123 ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' 1120 ' ' ALA . 27.9 t0 -65.06 -41.51 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.275 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.412 ' HA ' HG23 ' A' 1098 ' ' VAL . 24.5 m -63.9 -40.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.232 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' 1053 ' ' ALA . . . -63.66 -36.2 83.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.48 -45.07 96.95 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.976 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.95 -44.11 92.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.633 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.476 ' HG ' ' CB ' ' A' 1159 ' ' LEU . 0.2 OUTLIER -61.14 -47.17 87.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' 1133 ' ' GLN . 3.9 ptm180 -65.15 -38.13 89.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.609 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.0 m -70.2 -35.62 74.04 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.082 0.468 . . . . 0.0 109.941 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.442 HD12 HD12 ' A' 1091 ' ' LEU . 0.6 OUTLIER -58.06 -49.18 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.35 176.009 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.585 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -58.63 -45.76 88.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.562 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.3 mt-30 -56.49 -48.33 77.39 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.14 0.495 . . . . 0.0 110.951 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' 1087 ' ' CYS . . . -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.313 -176.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.27 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.439 ' HG2' HD13 ' A' 1067 ' ' ILE . 23.9 mtp180 -59.61 -43.44 93.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.35 -51.2 60.23 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.208 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.38 -48.15 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.46 84.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.703 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.88 63.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.273 0.559 . . . . 0.0 111.457 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1137 ' ' GLY . 91.5 mt -81.15 -35.71 31.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.106 -174.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.456 HG22 HG23 ' A' 1147 ' ' VAL . 10.2 t -79.41 152.72 30.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.155 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 42.3 p -112.0 3.92 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 0.0 110.513 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' 1148 ' ' GLN . 8.0 m-20 -76.64 115.88 51.73 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.76 66.86 8.07 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.632 2.221 . . . . 0.0 112.833 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.38 -54.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.503 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' 1151 ' ' VAL . 18.5 m -60.42 -28.63 42.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 176.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.621 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.5 mt-30 -55.38 -52.46 63.47 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-O 121.2 0.524 . . . . 0.0 110.338 176.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.39 -31.71 62.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.774 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.752 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' 1147 ' ' VAL . 4.3 p -68.39 -36.1 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.159 0.504 . . . . 0.0 110.568 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' 1148 ' ' GLN . 36.1 mt -76.86 -41.12 45.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.49 -48.13 82.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.615 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.508 ' O ' HG22 ' A' 1158 ' ' VAL . 17.2 p -66.16 -43.84 85.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.947 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.22 93.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.2 t -64.41 -30.2 71.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.497 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.403 ' CG ' ' HZ3' ' A' 1161 ' ' LYS . 23.2 t70 -75.04 -32.61 61.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.332 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' 1154 ' ' THR . 76.1 t -55.0 -57.53 6.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.451 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.568 HD11 HG13 ' A' 1057 ' ' VAL . 1.7 pt? -75.76 -29.48 58.85 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.289 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.53 -39.88 77.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.15 0.5 . . . . 0.0 110.096 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.699 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.2 mptt -66.63 -47.43 72.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.205 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.59 69.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.681 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 15.1 t -62.64 -43.67 98.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 41.9 m -61.83 -34.33 75.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.636 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.456 ' HG ' ' CG1' ' A' 1188 ' ' VAL . 3.6 mt -58.92 -49.86 76.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.266 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' 1050 ' ' MET . 68.7 mt -64.47 -49.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.049 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 1170 ' ' LYS . 45.9 mt-10 -62.92 -48.19 80.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.487 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -68.26 -31.48 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.847 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.42 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.554 0.216 . . . . 0.0 111.116 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1170 ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' 1167 ' ' GLU . 20.6 pttm -70.25 -25.04 63.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.059 0.457 . . . . 0.0 110.276 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' 1171 ' ' LYS . 9.5 mmpt? . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.106 0.479 . . . . 0.0 110.01 175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' 1188 ' ' VAL . 30.9 mtm-85 -67.78 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.78 -40.05 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.069 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1186 ' ' ALA . . . . . 0.444 ' HA ' HD22 ' A' 1106 ' ' LEU . . . -64.5 -34.04 77.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.685 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.494 ' OE1' ' HA ' ' A' 1184 ' ' ARG . 52.8 mt-30 -65.78 -37.57 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' 1184 ' ' ARG . 8.9 t -70.78 -46.45 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.36 74.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.81 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.19 -39.24 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.617 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -67.92 -43.91 78.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' 1161 ' ' LYS . 76.2 t -58.03 -41.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.982 0.42 . . . . 0.0 110.209 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 17.8 m -59.89 -38.49 82.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.704 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.3 -36.07 61.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.413 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.602 ' HB3' HG22 ' A' 1095 ' ' THR . 74.6 mt -55.43 -52.26 64.17 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.91 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.464 ' HA ' HG21 ' A' 1200 ' ' VAL . 8.8 t30 -61.92 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.016 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -60.93 -37.11 81.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.537 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 22.8 t -76.46 -49.53 16.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.464 HG21 ' HA ' ' A' 1197 ' ' ASN . 21.0 m -66.98 -25.32 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.703 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.34 -34.74 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.168 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 27.5 p -81.45 -1.51 46.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.727 0.298 . . . . 0.0 111.388 -176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.743 HD12 HD21 ' A' 1091 ' ' LEU . 81.1 mt -63.83 132.41 95.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 N--CA 1.457 -0.674 0 C-N-CA 122.295 1.997 . . . . 0.0 111.592 173.624 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.8 ' HE2' ' HB2' ' A' 1117 ' ' ALA . 61.0 mtt -55.9 -32.71 63.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.231 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1051 ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' 1054 ' ' LEU . 18.5 t70 -68.21 -34.96 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.802 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 8.2 t -69.72 -38.07 76.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.002 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -67.1 -35.17 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.254 0.55 . . . . 0.0 109.699 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.543 HD13 ' HB ' ' A' 1166 ' ' ILE . 56.7 tp -61.43 -36.71 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.8 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 68.1 m -55.34 -37.78 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.405 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.0 t -65.63 -45.32 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.005 176.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 43.1 t -63.08 -41.23 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.557 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 74.2 mt-30 -58.42 -39.22 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.227 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -68.65 -30.96 69.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' 1056 ' ' VAL . 89.0 mt -75.25 -44.64 44.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.68 ' HB2' HD12 ' A' 1159 ' ' LEU . 7.5 pt-20 -63.34 -38.38 90.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.743 0.306 . . . . 0.0 111.258 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.5 -25.95 62.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -71.39 -51.28 24.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.649 HD13 HD21 ' A' 1159 ' ' LEU . 15.7 mt -67.51 -27.85 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.332 -173.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -67.2 -35.97 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.762 0.315 . . . . 0.0 110.62 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.396 0.617 . . . . 0.0 110.208 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' 1136 ' ' ARG . 66.2 mt -66.14 -35.12 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.521 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -57.47 -45.51 84.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.477 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.16 82.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.92 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1071 ' ' ALA . . . . . 0.471 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -64.86 -40.2 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' 1072 ' ' ARG . 10.1 tpt180 -58.35 -54.04 51.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.594 176.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.73 -23.32 62.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.81 34.34 6.93 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.071 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -109.75 14.02 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1076 ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' 1071 ' ' ALA . 58.3 mt . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.425 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.571 0.224 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1084 ' ' MET . . . . . 0.614 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 49.7 ttm -66.41 -29.33 69.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 110.57 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.28 -34.35 77.92 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.879 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.81 -50.03 18.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.227 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' 1084 ' ' MET . 4.8 p -69.52 -44.8 70.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 31.8 p -61.24 -38.22 85.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.239 0.542 . . . . 0.0 110.86 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.34 -44.89 70.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1090 ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' 1130 ' ' SER . 35.6 t70 -66.24 -32.59 74.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.957 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.899 HD21 HD13 ' A' 1203 ' ' LEU . 18.2 tp -59.55 -46.23 89.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.024 0.44 . . . . 0.0 110.026 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -63.92 -38.39 96.01 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.103 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1093 ' ' ASN . . . . . 0.533 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 96.5 m-20 -66.64 -43.22 85.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.679 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.538 ' O ' HG11 ' A' 1098 ' ' VAL . 16.2 m -61.9 -38.9 90.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.875 HG22 ' HB3' ' A' 1196 ' ' LEU . 54.8 m -54.22 -54.65 37.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.489 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1096 ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 59.0 pttt -70.55 -36.9 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.48 -54.71 40.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.861 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.541 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.6 p -73.99 -23.31 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.021 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.2 m -69.78 -32.61 71.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.6 m -75.19 -29.91 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.538 . . . . 0.0 109.803 172.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.547 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -69.91 -46.2 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.242 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.26 -26.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.19 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.547 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 52.6 mtmt -69.68 -29.75 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.68 -33.29 74.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.189 178.635 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.8 ' HB2' ' HE2' ' A' 1050 ' ' MET . . . -66.23 -36.1 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.06 53.82 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.427 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.39 -45.83 96.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.582 0.229 . . . . 0.0 110.647 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.45 89.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.312 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.558 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -69.67 -29.07 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.389 0.614 . . . . 0.0 110.613 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -76.42 -26.16 55.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.783 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.27 -42.2 38.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.735 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.812 ' O ' ' HG ' ' A' 1128 ' ' LEU . 23.2 m -58.71 -45.16 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.639 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.76 -38.28 78.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.629 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.58 -47.18 92.06 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.076 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.7 -35.32 91.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.901 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' 1124 ' ' VAL . 51.3 mt -71.7 -28.93 64.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.891 0.076 . . . . 0.0 111.119 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.639 ' HG3' ' O ' ' A' 1125 ' ' ALA . 56.7 mtt-85 -59.02 -57.7 11.94 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.469 0.652 . . . . 0.0 109.834 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1130 ' ' SER . . . . . 0.504 ' HB3' ' OD2' ' A' 1090 ' ' ASP . 13.6 m -63.87 -38.39 90.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.568 HD23 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -54.72 -53.05 60.08 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.751 177.35 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.565 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.25 -52.0 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.395 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.85 -36.83 75.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.719 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1134 ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' 1138 ' ' VAL . . . -69.54 -44.66 70.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.908 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.84 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.405 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.58 ' HB3' HD12 ' A' 1067 ' ' ILE . 14.3 ptm180 -64.99 -34.51 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.245 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -63.31 -50.06 65.64 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.584 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1138 ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' 1134 ' ' ALA . 75.5 t -55.61 -47.64 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.083 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.3 93.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.422 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.61 -39.75 57.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 111.071 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.411 HD11 ' CA ' ' A' 1084 ' ' MET . 28.0 mt -61.59 -38.79 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.046 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.617 HG21 ' HG2' ' A' 1148 ' ' GLN . 8.5 t -78.04 135.5 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.626 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 m -98.84 21.49 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' 1148 ' ' GLN . 27.5 m-20 -108.67 110.31 61.3 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.427 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.66 71.65 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.496 2.797 . . . . 0.0 112.496 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.15 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.494 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.58 HG21 HG23 ' A' 1142 ' ' THR . 26.8 m -69.05 -24.03 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.17 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.617 ' HG2' HG21 ' A' 1142 ' ' THR . 15.0 mt-30 -57.9 -50.36 73.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.377 0.608 . . . . 0.0 110.205 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.29 64.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -39.28 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.601 -175.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' 1147 ' ' VAL . 3.2 p -68.57 -34.57 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.027 0.441 . . . . 0.0 110.633 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.8 mt -77.76 -42.6 33.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 110.646 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.55 -37.94 85.62 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.335 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1154 ' ' THR . . . . . . . . . . . . . 11.3 p -71.8 -39.31 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.933 0.397 . . . . 0.0 110.999 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.67 68.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.128 0.49 . . . . 0.0 110.597 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1156 ' ' SER . . . . . 0.401 ' HA ' HD22 ' A' 1159 ' ' LEU . 8.8 t -60.54 -34.19 73.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.582 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -68.91 -39.86 79.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.214 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 64.9 t -57.03 -55.0 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.684 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' 1061 ' ' GLU . 4.3 pp -64.15 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.981 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.444 ' N ' HD11 ' A' 1159 ' ' LEU . 14.5 t70 -61.55 -52.95 62.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -74.05 -29.94 62.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.74 73.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.64 0.257 . . . . 0.0 111.628 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 24.3 m -59.96 -47.47 85.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1164 ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' 1168 ' ' GLU . 24.4 p -68.99 -22.63 64.08 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.632 HD13 HG23 ' A' 1192 ' ' VAL . 2.5 tt -66.28 -49.37 67.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1166 ' ' ILE . . . . . 0.543 ' HB ' HD13 ' A' 1054 ' ' LEU . 55.7 mt -64.41 -46.82 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.531 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' 1170 ' ' LYS . 2.5 mm-40 -60.96 -38.3 85.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.582 ' HA ' ' HZ1' ' A' 1171 ' ' LYS . 7.1 tp10 -58.38 -50.03 75.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.042 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.99 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1170 ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' 1167 ' ' GLU . 54.2 mtpt -55.74 -51.0 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.218 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.582 ' HZ1' ' HA ' ' A' 1168 ' ' GLU . 9.5 ptpp? . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.464 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 120.815 0.34 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' 1184 ' ' ARG . 4.1 mmp_? -55.34 -54.11 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.043 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.13 -37.93 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.42 67.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.332 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.68 -38.6 73.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.687 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.606 HG11 ' HG ' ' A' 1165 ' ' LEU . 10.6 p -67.23 -34.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1189 ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -68.12 -46.23 71.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.255 0.55 . . . . 0.0 110.323 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.645 ' O ' ' HG2' ' A' 1194 ' ' GLN . 54.2 tptt -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.222 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.745 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.632 HG23 HD13 ' A' 1165 ' ' LEU . 78.3 t -59.81 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1193 ' ' THR . . . . . 0.634 ' HA ' HD12 ' A' 1196 ' ' LEU . 31.9 m -66.04 -30.06 70.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1194 ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' 1190 ' ' LYS . 24.5 mm-40 -64.49 -42.12 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.092 0.473 . . . . 0.0 109.941 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.24 75.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.611 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.875 ' HB3' HG22 ' A' 1095 ' ' THR . 67.8 mt -55.57 -50.98 68.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.288 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1197 ' ' ASN . . . . . 0.445 ' HA ' HG21 ' A' 1200 ' ' VAL . 10.4 t30 -63.28 -32.55 74.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -66.73 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.788 0.327 . . . . 0.0 110.491 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.5 t -73.35 -47.81 39.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.799 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' 1197 ' ' ASN . 32.7 m -68.08 -21.91 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.381 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 34.9 t -77.14 -34.22 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.856 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 26.6 p -86.21 -1.07 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.899 HD13 HD21 ' A' 1091 ' ' LEU . 70.3 mt -66.49 144.57 98.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 N--CA 1.462 -0.37 0 C-N-CA 122.152 1.901 . . . . 0.0 110.588 171.678 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1049 ' ' GLU . . . . . 0.437 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 2.4 mp0 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.018 0.437 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.718 ' HE3' ' HB3' ' A' 1117 ' ' ALA . 63.2 mtt -77.55 -34.98 53.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.325 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 21.7 m -68.89 -29.03 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.3 70.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.096 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' 1058 ' ' GLN . 61.3 tp -56.91 -43.98 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.517 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.7 m -53.48 -39.63 64.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' 1060 ' ' LEU . 47.0 t -64.72 -45.28 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 47.7 t -63.24 -39.29 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.564 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.488 ' O ' ' HG3' ' A' 1062 ' ' LYS . 97.3 mt-30 -63.31 -34.09 76.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -72.88 -31.85 64.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.725 HD21 ' HG2' ' A' 1129 ' ' ARG . 97.3 mt -61.97 -52.0 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.548 ' HB3' ' CD1' ' A' 1159 ' ' LEU . 4.9 pt-20 -61.05 -41.56 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.716 0.293 . . . . 0.0 111.536 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' 1058 ' ' GLN . 53.9 mttm -71.28 -33.27 69.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.54 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -40.23 84.08 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 109.946 172.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' 1132 ' ' ALA . 16.9 mt -63.75 -30.17 71.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.989 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1061 ' ' GLU . 28.9 mt-30 -59.98 -43.69 94.95 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.321 0.388 . . . . 0.0 111.07 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.625 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.594 ' HB ' ' HE ' ' A' 1136 ' ' ARG . 11.2 mt -75.71 -32.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.379 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -62.68 -46.08 89.83 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.04 73.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.623 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.38 75.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.727 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.8 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 110.694 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1072 ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' 1072 ' ' ARG . 3.6 tmt_? -72.41 -44.37 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.02 -33.46 68.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.022 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 98.98 45.89 2.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.6 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -127.62 25.36 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.758 -0.221 . . . . 0.0 111.249 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.996 0.427 . . . . 0.0 110.606 175.22 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.1 tpp -54.83 -32.65 60.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.202 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.92 -47.85 67.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.902 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -76.86 -45.42 28.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 73.2 m -55.51 -46.42 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.533 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 36.6 p -70.7 -35.35 72.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.281 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.42 -32.86 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.037 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.481 HD12 HD23 ' A' 1131 ' ' LEU . 23.1 tp -60.42 -49.44 77.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.78 175.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.67 95.94 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.34 177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -57.66 -47.54 82.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.48 ' O ' HG13 ' A' 1098 ' ' VAL . 19.3 m -64.15 -37.09 86.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.889 HG21 ' HB3' ' A' 1196 ' ' LEU . 82.5 m -56.94 -53.18 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.083 0.468 . . . . 0.0 110.247 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -62.07 -35.62 79.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.51 -61.95 2.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.632 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.537 HG23 HD21 ' A' 1128 ' ' LEU . 5.9 p -72.01 -26.81 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.615 -175.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.4 t -63.09 -37.22 86.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.199 0.523 . . . . 0.0 110.087 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1100 ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' 1104 ' ' LYS . 44.8 m -74.64 -25.39 59.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.449 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1101 ' ' ALA . . . . . 0.44 ' HB3' ' OD1' ' A' 1123 ' ' ASP . . . -76.11 -44.18 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.439 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.7 pt -64.57 -25.21 37.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.421 . . . . 0.0 110.793 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.18 -32.15 71.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.649 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' 1100 ' ' SER . 57.9 mttm -73.59 -35.56 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.76 -46.86 87.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.564 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 177.377 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.718 ' HB3' ' HE3' ' A' 1050 ' ' MET . . . -52.41 -41.45 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.057 0.456 . . . . 0.0 110.726 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1118 ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -80.27 -36.34 24.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.364 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.6 -47.69 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.977 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1120 ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' 1104 ' ' LYS . . . -72.45 -29.27 63.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.421 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1121 ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -63.02 -37.99 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -79.35 -24.93 42.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 109.992 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1123 ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' 1101 ' ' ALA . 6.3 t70 -72.73 -43.94 62.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.715 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -60.83 -43.35 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.566 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.92 -46.08 88.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.17 -40.44 99.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.422 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.98 94.96 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' 1124 ' ' VAL . 66.6 mt -69.43 -29.05 66.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.451 0.167 . . . . 0.0 111.323 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.725 ' HG2' HD21 ' A' 1060 ' ' LEU . 50.3 mtp180 -62.09 -53.55 53.83 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.208 0.528 . . . . 0.0 109.934 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1130 ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' 1133 ' ' GLN . 22.2 m -65.89 -33.91 76.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.842 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1131 ' ' LEU . . . . . 0.481 HD23 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -58.78 -49.36 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.76 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -65.67 -40.65 92.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1133 ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' 1130 ' ' SER . 4.2 pt20 -64.23 -36.92 85.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.64 -42.7 67.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.643 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.82 76.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.594 ' HE ' ' HB ' ' A' 1067 ' ' ILE . 16.6 mmt-85 -68.79 -36.8 78.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.013 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1137 ' ' GLY . . . . . 0.414 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.99 -45.06 94.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.646 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1138 ' ' VAL . . . . . 0.44 ' O ' HG21 ' A' 1142 ' ' THR . 83.6 t -53.96 -49.91 56.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.296 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1139 ' ' ALA . . . . . 0.43 ' CB ' HD23 ' A' 1152 ' ' LEU . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.861 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.04 77.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.1 0.476 . . . . 0.0 110.77 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1141 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1137 ' ' GLY . 90.3 mt -75.2 -42.37 55.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.975 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.44 HG21 ' O ' ' A' 1138 ' ' VAL . 3.8 t -65.56 -46.72 78.41 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.331 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 50.7 m 64.61 10.3 5.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.685 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.2 t70 -85.73 117.84 69.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 O-C-N 122.371 -0.206 . . . . 0.0 110.6 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1145 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 12.2 Cg_exo -70.46 66.96 2.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.803 2.335 . . . . 0.0 112.267 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.21 -60.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.98 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' 1151 ' ' VAL . 34.9 m -70.73 -24.76 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.785 ' O ' ' HG ' ' A' 1152 ' ' LEU . 54.2 mt-30 -57.37 -51.81 67.9 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.802 0.334 . . . . 0.0 110.314 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.59 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.694 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' 1150 ' ' ILE . 0.8 OUTLIER -72.43 -46.86 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.778 -175.617 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -68.02 -29.77 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.383 0.611 . . . . 0.0 111.029 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' 1148 ' ' GLN . 23.9 mt -77.56 -40.71 41.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.102 0.477 . . . . 0.0 109.782 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.48 -43.35 97.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.379 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.585 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 10.4 p -63.6 -45.82 88.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.979 0.175 . . . . 0.0 111.181 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -56.18 -43.11 78.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 111.018 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -37.57 74.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.046 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1157 ' ' ASP . . . . . 0.414 ' CG ' ' HZ2' ' A' 1161 ' ' LYS . 9.7 t70 -61.4 -37.02 81.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.348 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' 1154 ' ' THR . 96.9 t -58.9 -53.64 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.008 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -69.43 -30.53 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.059 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.493 ' N ' HD13 ' A' 1159 ' ' LEU . 0.5 OUTLIER -57.63 -44.65 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.517 175.2 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1161 ' ' LYS . . . . . 0.494 ' HB3' HG23 ' A' 1192 ' ' VAL . 14.4 mptt -68.66 -43.45 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.42 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.722 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 27.7 t -62.14 -44.02 97.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -62.84 -39.24 93.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.264 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.54 -47.34 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.17 -44.97 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.462 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.35 -40.6 89.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.386 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1168 ' ' GLU . . . . . 0.433 ' OE2' ' HD3' ' A' 1184 ' ' ARG . 28.4 tp10 -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.087 176.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.69 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.815 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.56 -30.25 70.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 77.9 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.575 176.827 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' 1187 ' ' GLN . 54.2 mt-30 . . . . . 0 C--O 1.225 -0.192 0 CA-C-O 120.505 0.193 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.433 ' HD3' ' OE2' ' A' 1168 ' ' GLU . 89.0 mtt180 -52.21 -52.79 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.82 -38.26 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.964 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.02 94.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.446 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.6 mt-30 -72.54 -40.46 66.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.476 ' O ' HG21 ' A' 1192 ' ' VAL . 10.3 p -70.8 -34.93 58.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.718 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 109.999 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1190 ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' 1194 ' ' GLN . 63.0 tttm -62.33 -38.32 89.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.77 175.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.32 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.772 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' 1161 ' ' LYS . 59.9 t -56.19 -44.16 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.2 0.524 . . . . 0.0 109.932 175.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 21.8 m -60.82 -40.74 93.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.858 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1194 ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' 1190 ' ' LYS . 28.8 mm-40 -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.93 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.889 ' HB3' HG21 ' A' 1095 ' ' THR . 84.4 mt -58.48 -46.14 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.963 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.61 -37.58 86.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.655 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -65.99 -28.4 68.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.355 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1199 ' ' CYS . . . . . 0.585 ' SG ' ' HB ' ' A' 1154 ' ' THR . 90.9 m -69.0 -48.9 61.93 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.363 0.601 . . . . 0.0 109.909 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.5 m -73.94 -21.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 27.8 t -77.93 -40.01 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.064 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -76.06 -1.48 26.14 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1203 ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.05 131.95 74.24 Favored Pre-proline 0 C--O 1.233 0.199 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.898 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 C--N 1.349 0.572 0 C-N-CA 124.374 3.383 . . . . 0.0 114.185 -178.81 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.974 0.416 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1050 ' ' MET . . . . . 0.6 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 62.8 mtt -60.13 -33.49 72.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.516 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.24 -46.45 61.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 13.7 t -65.5 -43.21 90.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.073 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1053 ' ' ALA . . . . . 0.537 ' O ' HG21 ' A' 1057 ' ' VAL . . . -59.66 -49.29 78.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.014 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1054 ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' 1058 ' ' GLN . 49.6 tp -59.19 -36.0 74.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 31.8 t -63.42 -44.82 93.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' 1053 ' ' ALA . 10.3 m -71.27 -30.68 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.235 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1057 ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' 1053 ' ' ALA . 47.5 t -66.98 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.151 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1058 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1054 ' ' LEU . 97.9 mt-30 -64.6 -32.7 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.231 0.538 . . . . 0.0 110.859 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -76.32 -25.44 54.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1060 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1056 ' ' VAL . 93.7 mt -75.34 -46.82 30.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1061 ' ' GLU . . . . . 0.692 ' HB3' HD12 ' A' 1159 ' ' LEU . 8.0 pt-20 -57.93 -44.41 86.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.036 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1062 ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' 1066 ' ' GLU . 96.9 mttt -61.07 -38.69 87.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.303 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1063 ' ' ASP . . . . . 0.451 ' O ' HG13 ' A' 1067 ' ' ILE . 18.8 t70 -63.89 -46.59 84.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.176 0.512 . . . . 0.0 110.049 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1064 ' ' LEU . . . . . 0.683 HD23 ' HB2' ' A' 1132 ' ' ALA . 14.6 mt -69.04 -31.99 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.448 -175.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1065 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 1061 ' ' GLU . 10.3 mm100 -68.01 -30.3 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.619 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1066 ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' 1062 ' ' LYS . 48.5 mt-10 -68.52 -43.53 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1067 ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' 1064 ' ' LEU . 52.5 mt -63.17 -39.1 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.224 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.14 -43.79 92.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.417 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.34 87.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.724 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.41 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.124 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.54 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 111.075 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.76 -46.9 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.86 -47.31 75.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.038 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 111.29 31.46 2.82 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.598 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -118.44 25.47 10.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 111.101 177.13 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.941 0.4 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1084 ' ' MET . . . . . 0.665 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 48.2 tpp -68.2 -28.35 67.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.541 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.04 -55.05 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.037 175.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.13 -51.71 65.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.247 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1087 ' ' CYS . . . . . 0.665 ' SG ' ' HA ' ' A' 1084 ' ' MET . 6.8 p -63.28 -44.09 96.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 40.6 p -65.44 -38.29 89.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.38 -49.01 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.322 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.28 -31.82 73.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.234 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1091 ' ' LEU . . . . . 0.455 ' CD2' HD22 ' A' 1203 ' ' LEU . 19.8 tp -61.73 -48.9 78.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.913 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.89 -41.02 98.89 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.043 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.67 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.54 0.21 . . . . 0.0 110.898 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1094 ' ' SER . . . . . 0.514 ' O ' HG11 ' A' 1098 ' ' VAL . 32.1 m -67.9 -36.19 79.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 0.0 110.098 175.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1095 ' ' THR . . . . . 0.993 HG21 ' HB3' ' A' 1196 ' ' LEU . 63.3 m -57.26 -57.52 12.27 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -64.6 -34.82 79.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -57.3 -61.29 2.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1098 ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' 1094 ' ' SER . 7.3 p -70.86 -28.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.138 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 33.8 t -64.36 -37.98 89.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.243 0.544 . . . . 0.0 110.107 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.8 t -72.14 -35.16 69.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.134 0.493 . . . . 0.0 109.956 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.36 78.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.911 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 28.0 pt -64.74 -26.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.889 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.88 -29.41 69.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.723 0.297 . . . . 0.0 110.617 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1104 ' ' LYS . . . . . 0.467 ' HG3' ' CZ ' ' A' 1116 ' ' TYR . 14.3 mptt -75.68 -40.32 56.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.618 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1105 ' ' LEU . . . . . 0.419 HD13 HD12 ' A' 1165 ' ' LEU . 40.6 mt -61.07 -34.97 75.75 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1106 ' ' LEU . . . . . 0.664 ' HG ' ' HB3' ' A' 1185 ' ' LEU . 11.0 mp . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.519 171.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1116 ' ' TYR . . . . . 0.467 ' CZ ' ' HG3' ' A' 1104 ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1117 ' ' ALA . . . . . 0.6 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -61.73 -38.45 87.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.888 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.65 -50.58 58.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.252 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.31 -45.87 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.538 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.08 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.81 85.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.058 0.456 . . . . 0.0 110.917 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1122 ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' 1122 ' ' ARG . 43.5 ttp180 -75.12 -33.15 61.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 110.212 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.63 -45.5 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.784 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.587 ' O ' HD21 ' A' 1128 ' ' LEU . 23.2 m -60.79 -39.37 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.946 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1125 ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -57.65 -46.63 83.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.86 -37.37 93.6 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.855 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.79 -43.87 98.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.159 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1128 ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' 1124 ' ' VAL . 0.1 OUTLIER -63.21 -38.77 92.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.514 0.197 . . . . 0.0 111.113 179.125 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1129 ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' 1125 ' ' ALA . 29.3 mtm180 -59.82 -54.14 49.76 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.168 0.508 . . . . 0.0 109.916 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.7 m -59.57 -42.45 92.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.16 -49.93 75.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.776 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1132 ' ' ALA . . . . . 0.683 ' HB2' HD23 ' A' 1064 ' ' LEU . . . -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.358 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.51 -41.11 96.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.171 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.1 74.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.868 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.86 80.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.736 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1136 ' ' ARG . . . . . 0.433 ' HE ' HD12 ' A' 1067 ' ' ILE . 7.8 ptm180 -66.07 -24.5 66.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.398 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -73.6 -49.22 15.13 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.377 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.5 t -53.6 -48.65 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 122.402 0.281 . . . . 0.0 111.306 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.4 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.675 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.46 -46.0 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 110.826 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.34 -38.39 84.77 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.783 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1142 ' ' THR . . . . . 0.455 HG22 HG21 ' A' 1147 ' ' VAL . 12.6 t -75.12 150.93 38.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 26.7 m -114.1 4.25 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.723 0.297 . . . . 0.0 110.978 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1144 ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' 1148 ' ' GLN . 14.1 t70 -80.33 115.61 55.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -76.12 66.59 6.95 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.1 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.53 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.497 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1147 ' ' VAL . . . . . 0.511 ' O ' HG11 ' A' 1151 ' ' VAL . 26.9 m -67.05 -25.83 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.108 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1148 ' ' GLN . . . . . 0.58 ' O ' ' HG ' ' A' 1152 ' ' LEU . 18.0 mt-30 -52.83 -53.96 41.16 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.242 0.544 . . . . 0.0 110.839 177.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.84 68.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1150 ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -72.75 -36.27 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.78 -174.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1151 ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.29 -35.61 68.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.175 0.512 . . . . 0.0 110.445 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1152 ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.9 mt -75.27 -42.28 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.371 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.41 -46.48 80.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1154 ' ' THR . . . . . 0.51 ' O ' HG22 ' A' 1158 ' ' VAL . 11.6 p -68.62 -41.01 80.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.2 0.524 . . . . 0.0 110.834 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -66.45 -32.98 74.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.836 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.08 -36.85 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1158 ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' 1154 ' ' THR . 75.5 t -57.0 -56.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.817 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.692 HD12 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -67.43 -30.36 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.874 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1160 ' ' ASP . . . . . 0.509 ' N ' HD11 ' A' 1159 ' ' LEU . 31.9 t70 -56.49 -48.4 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.2 mptt -76.18 -33.82 59.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -60.34 -39.32 86.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 111.141 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' 1167 ' ' GLU . 41.9 m -59.81 -52.1 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.025 176.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 27.0 m -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1165 ' ' LEU . . . . . 0.537 HD21 HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -66.04 -53.17 41.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.79 -44.44 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.453 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1167 ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' 1171 ' ' LYS . 53.2 mt-10 -60.5 -47.32 86.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -59.13 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.655 0.264 . . . . 0.0 110.609 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.83 73.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.049 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.454 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1171 ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' 1167 ' ' GLU . 27.3 mtpt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.628 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1183 ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' 1187 ' ' GLN . 6.4 tm0? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1184 ' ' ARG . . . . . 0.589 ' HA ' HE21 ' A' 1187 ' ' GLN . 57.7 mtt85 -65.41 -43.25 91.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1185 ' ' LEU . . . . . 0.664 ' HB3' ' HG ' ' A' 1106 ' ' LEU . 53.6 mt -56.97 -44.27 82.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.55 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.228 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1187 ' ' GLN . . . . . 0.589 HE21 ' HA ' ' A' 1184 ' ' ARG . 46.6 mt-30 -66.1 -50.65 63.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1188 ' ' VAL . . . . . 0.537 HG13 HD21 ' A' 1165 ' ' LEU . 7.9 p -70.77 -38.36 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.405 -175.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.18 86.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.68 -39.78 91.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.731 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.957 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1192 ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' 1188 ' ' VAL . 67.9 t -62.07 -47.12 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.434 . . . . 0.0 109.97 175.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 25.7 m -61.44 -38.25 86.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.107 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.29 -45.2 73.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.35 95.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1196 ' ' LEU . . . . . 0.993 ' HB3' HG21 ' A' 1095 ' ' THR . 76.2 mt -55.1 -50.11 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.949 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.17 -43.3 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.87 -24.88 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.746 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 19.6 t -73.15 -49.09 30.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1200 ' ' VAL . . . . . 0.556 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 16.3 m -70.51 -21.92 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.539 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 69.6 m -70.55 -25.43 63.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.605 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1202 ' ' CYS . . . . . 0.473 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 95.0 m -86.49 -5.19 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.499 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1203 ' ' LEU . . . . . 0.556 ' HG ' ' HA ' ' A' 1200 ' ' VAL . 74.2 mt -62.25 127.58 89.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1204 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 3.3 Cg_exo . . . . . 0 N--CA 1.455 -0.772 0 C-N-CA 123.263 2.642 . . . . 0.0 112.014 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.511 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 40.3 mm 54.96 78.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.649 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.15 123.14 59.92 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.47 52.42 2.78 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.88 2.386 . . . . 0.0 112.249 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 32.6 t80 -97.83 23.4 8.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.803 0.811 . . . . 0.0 109.36 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 3.5 p -82.8 11.54 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.15 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -77.74 -74.63 0.99 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.414 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.89 35.94 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.911 2.408 . . . . 0.0 113.307 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1048 ' ' LEU . . . . . 0.436 HD11 ' C ' ' A' 1048 ' ' LEU . 2.1 pp -75.52 -1.69 25.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.111 0.481 . . . . 0.0 111.481 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.419 ' HB2' ' CA ' ' A' 1118 ' ' GLY . 61.8 mm-40 -62.75 -34.93 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.791 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 53.8 mtt -65.6 -44.44 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.62 -40.06 94.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.259 0.552 . . . . 0.0 110.162 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 22.1 m -64.93 -39.21 93.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.655 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.95 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.732 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.34 -43.94 83.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.9 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 38.8 m -57.78 -41.32 81.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1060 ' ' LEU . 60.5 t -61.58 -46.45 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.615 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.3 t -65.84 -38.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' 1061 ' ' GLU . 98.5 mt-30 -67.78 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 177.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -76.62 -27.93 55.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.381 172.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.663 HD23 ' HG2' ' A' 1129 ' ' ARG . 78.9 mt -69.25 -43.88 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' 1065 ' ' GLN . 1.5 pt-20 -59.98 -43.84 94.86 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.278 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -71.92 -26.18 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.07 -49.76 73.23 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' 1132 ' ' ALA . 14.4 mt -75.0 -21.44 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1061 ' ' GLU . 13.0 mm100 -57.44 -46.62 83.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.037 0.446 . . . . 0.0 110.367 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.42 -36.65 84.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.136 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' 1064 ' ' LEU . 81.4 mt -71.72 -37.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.384 -177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 56.8 mttm -55.68 -51.79 66.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.462 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.74 94.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.553 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1070 ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' 1075 ' ' LYS . . . -63.43 -46.29 87.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.151 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.641 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -42.94 94.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.1 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.986 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.19 29.78 2.9 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.936 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1075 ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' 1070 ' ' ALA . 60.2 mttp -90.09 -84.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' 1140 ' ' ALA . 24.2 mt 47.97 -164.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.509 0.506 . . . . 0.0 112.278 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -125.21 85.31 58.37 Favored Pre-proline 0 N--CA 1.439 -1.007 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.35 27.98 0.56 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.449 2.766 . . . . 0.0 113.346 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 11.2 mp -76.75 115.42 47.91 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.358 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 2.0 Cg_endo -83.72 30.12 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.537 2.825 . . . . 0.0 112.805 -177.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.45 65.65 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.3 113.09 25.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 3.9 p -73.18 155.43 39.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.865 0.364 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 51.2 ttm -59.15 -34.22 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.294 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.13 -38.14 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.686 0.279 . . . . 0.0 110.85 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -77.22 -40.38 45.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.744 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.0 m -65.4 -41.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.105 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1088 ' ' THR . . . . . 0.477 HG23 HD11 ' A' 1203 ' ' LEU . 24.8 p -71.33 -33.31 69.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -67.71 -45.11 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.077 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.7 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.73 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.687 HD21 HD12 ' A' 1203 ' ' LEU . 21.4 tp -59.06 -45.64 90.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.574 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.451 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -61.54 -42.1 99.7 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.924 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.29 -42.24 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.527 0.203 . . . . 0.0 110.681 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 43.2 m -58.14 -41.26 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.969 0.414 . . . . 0.0 110.158 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.921 HG22 ' HB3' ' A' 1196 ' ' LEU . 81.3 m -56.82 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.823 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1092 ' ' GLY . 61.9 mttm -65.38 -33.33 75.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.23 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.405 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.5 p -71.24 -23.56 23.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.969 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 70.4 m -64.93 -33.23 75.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.181 0.515 . . . . 0.0 110.189 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.37 -32.9 60.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.734 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.55 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.665 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.419 ' O ' HD22 ' A' 1106 ' ' LEU . 38.6 pt -64.41 -30.69 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.925 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.77 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.147 0.498 . . . . 0.0 110.57 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -75.1 -32.48 61.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.407 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.16 -38.08 69.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 110.517 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' 1189 ' ' ALA . 4.6 mm? -80.84 8.6 7.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -98.76 117.94 6.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.876 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 63.61 -160.65 0.3 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.668 0.387 . . . . 0.0 110.428 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.481 HG12 ' HA2' ' A' 1177 ' ' GLY . 7.0 tp -139.59 137.6 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -84.36 109.75 18.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.125 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1111 ' ' GLN . . . . . 0.51 ' HG2' ' HA ' ' A' 1176 ' ' PRO . 16.3 mt-30 -102.99 91.93 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.925 -176.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 84.26 -57.73 5.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.533 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 57.5 t30 -147.08 134.35 20.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.48 ' OE1' ' HB2' ' A' 1116 ' ' TYR . 0.9 OUTLIER -161.72 140.65 9.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -89.11 -44.46 10.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1116 ' ' TYR . . . . . 0.48 ' HB2' ' OE1' ' A' 1114 ' ' GLU . 55.0 m-85 -59.44 -41.44 89.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.281 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.791 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -51.17 -43.12 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.065 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1118 ' ' GLY . . . . . 0.419 ' CA ' ' HB2' ' A' 1049 ' ' GLU . . . -75.6 -40.74 31.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.233 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.79 -42.17 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.339 . . . . 0.0 111.009 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.91 74.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.662 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.74 76.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.164 0.507 . . . . 0.0 110.403 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -71.79 -36.26 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.182 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.68 -40.3 80.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.301 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.739 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -63.65 -43.84 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.616 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.53 84.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.832 0.348 . . . . 0.0 110.993 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.23 -42.07 99.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.391 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1127 ' ' GLY . . . . . 0.459 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -64.43 -38.2 95.48 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.952 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' 1124 ' ' VAL . 63.6 mt -68.81 -35.67 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.556 0.217 . . . . 0.0 110.961 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.663 ' HG2' HD23 ' A' 1060 ' ' LEU . 33.6 mtp180 -61.84 -51.29 68.82 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.197 0.523 . . . . 0.0 110.0 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.5 t -57.88 -40.42 80.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.296 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.464 HD23 HD12 ' A' 1091 ' ' LEU . 1.7 tm? -59.97 -56.27 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.952 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.593 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -60.4 -41.71 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.935 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.5 -37.66 87.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.595 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.76 68.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.663 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.97 85.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.481 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.457 ' HA ' HD21 ' A' 1152 ' ' LEU . 35.2 ptt180 -67.95 -25.57 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.627 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.466 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.4 -45.13 70.57 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 55.9 t -54.63 -46.45 72.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.9 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.19 -26.76 56.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.459 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.4 mt -80.8 -36.87 31.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.348 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.9 t -80.77 150.43 29.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.196 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 32.2 p -109.7 4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.736 0.303 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -85.87 112.95 48.76 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.55 67.05 5.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.096 2.53 . . . . 0.0 111.931 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.43 -55.48 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.207 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' 1151 ' ' VAL . 29.8 m -69.4 -27.25 33.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.52 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.648 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.3 mt-30 -57.38 -46.04 83.82 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 177.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.74 62.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -38.65 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.511 -175.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' 1147 ' ' VAL . 3.8 p -71.15 -33.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -78.15 -41.59 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.266 0.555 . . . . 0.0 110.207 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.7 -45.31 85.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.297 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.547 ' O ' HG22 ' A' 1158 ' ' VAL . 9.4 p -64.3 -42.64 96.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.848 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.84 81.41 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.09 0.471 . . . . 0.0 110.788 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.3 m -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.9 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.257 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' 1154 ' ' THR . 99.1 t -58.46 -59.23 3.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -64.81 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.489 ' N ' HD12 ' A' 1159 ' ' LEU . 13.3 t70 -57.23 -53.43 58.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.493 0.663 . . . . 0.0 110.265 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -34.95 72.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.27 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -64.33 -28.37 69.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.112 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.578 ' O ' ' HG3' ' A' 1167 ' ' GLU . 53.8 m -61.17 -54.05 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 50.9 m -68.86 -23.47 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.215 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' 1162 ' ' ALA . 45.2 tp -59.57 -46.96 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 67.9 mt -73.5 -39.15 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.982 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' 1163 ' ' SER . 47.2 mt-10 -56.31 -50.71 70.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.496 ' HA ' ' HD3' ' A' 1171 ' ' LYS . 7.1 tp10 -60.86 -43.58 98.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.36 92.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.069 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.56 -46.03 73.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' 1168 ' ' GLU . 30.9 mtpt -69.83 -41.0 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.396 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.29 -31.57 72.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.305 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 35.4 t -65.47 -20.69 66.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.58 11.01 66.86 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.767 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.573 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 12.2 m-70 -123.95 117.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.51 ' HA ' ' HG2' ' A' 1111 ' ' GLN . 23.3 Cg_exo -68.96 56.07 1.01 Allowed 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.727 2.952 . . . . 0.0 112.319 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1177 ' ' GLY . . . . . 0.481 ' HA2' HG12 ' A' 1109 ' ' ILE . . . 94.45 78.33 1.41 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 16.1 t70 -99.39 127.58 34.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.531 ' O ' ' HG3' ' A' 1183 ' ' GLN . 29.9 Cg_endo -64.76 -52.36 1.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.538 2.158 . . . . 0.0 112.61 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -66.72 -41.95 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 51.1 m -57.4 -45.24 84.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.042 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -69.88 -34.44 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.565 0.221 . . . . 0.0 111.072 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' 1179 ' ' PRO . 97.2 mt-30 -60.32 -48.49 81.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.169 0.509 . . . . 0.0 110.208 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.429 ' HA ' ' NE2' ' A' 1187 ' ' GLN . 28.0 mtm-85 -71.68 -35.2 70.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.571 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' 1168 ' ' GLU . 15.7 tp -61.43 -41.32 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.662 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.39 94.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.843 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' 1184 ' ' ARG . 48.0 mt-30 -63.81 -47.99 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' 1192 ' ' VAL . 11.1 p -71.48 -29.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.686 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' 1106 ' ' LEU . . . -61.46 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.163 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -67.99 -32.45 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.792 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.31 83.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' 1188 ' ' VAL . 61.3 t -63.91 -43.89 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.743 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 16.8 m -60.63 -42.32 96.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.899 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1194 ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' 1190 ' ' LYS . 27.2 mm-40 -63.4 -41.74 98.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.82 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.921 ' HB3' HG22 ' A' 1095 ' ' THR . 84.5 mt -57.55 -49.25 76.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.6 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.58 -29.76 70.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.793 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -75.49 -31.13 60.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.8 t -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 24.0 m -67.02 -24.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.93 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.0 t -78.37 -38.27 42.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -80.1 -1.74 41.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.687 HD12 HD21 ' A' 1091 ' ' LEU . 93.8 mt -59.44 138.63 89.09 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.31 106.45 1.21 Allowed 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.488 2.125 . . . . 0.0 111.976 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -136.4 27.69 2.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -82.85 98.76 9.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.971 0.415 . . . . 0.0 110.217 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' 1207 ' ' ARG . 46.4 mtm105 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.024 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 62.4 mt -96.47 96.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.251 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.763 ' HB2' ' HD2' ' A' 1043 ' ' PRO . 7.5 p-10 -171.55 175.1 1.3 Allowed Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.763 ' HD2' ' HB2' ' A' 1042 ' ' ASP . 12.1 Cg_endo -57.29 88.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.433 2.089 . . . . 0.0 112.451 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -177.04 93.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.94 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 15.2 t -145.81 2.4 0.92 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -74.01 -63.42 2.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.253 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -87.24 39.34 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.385 2.723 . . . . 0.0 111.062 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.12 -21.4 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.047 -173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.4 -34.07 66.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.807 0.337 . . . . 0.0 110.965 -175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.527 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 20.1 mtt -71.26 -44.41 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.136 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -72.45 -31.96 65.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.401 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 24.0 m -62.69 -46.14 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.57 96.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' 1057 ' ' VAL . 48.6 tp -60.54 -39.37 87.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.727 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -44.84 95.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.484 ' O ' ' HG ' ' A' 1060 ' ' LEU . 82.9 t -67.86 -45.83 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.236 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.1 p -63.25 -33.09 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.035 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.516 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 72.1 mt-30 -67.58 -39.01 84.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.682 0.277 . . . . 0.0 110.671 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -63.39 -45.99 88.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' 1057 ' ' VAL . 80.1 mt -57.95 -49.59 76.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.272 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.578 ' CB ' HD13 ' A' 1159 ' ' LEU . 12.2 pt-20 -66.45 -38.6 87.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -176.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.95 -33.7 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.049 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' 1067 ' ' ILE . 0.6 OUTLIER -58.88 -48.46 81.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.096 0.474 . . . . 0.0 109.775 172.693 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.498 HD23 HD11 ' A' 1067 ' ' ILE . 77.2 mt -64.07 -27.86 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.29 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' 1061 ' ' GLU . 81.0 mt-30 -66.51 -40.65 89.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.101 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.44 -43.46 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.938 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.618 HG23 HD12 ' A' 1152 ' ' LEU . 61.9 mt -65.32 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.64 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 36.4 ttmt -61.78 -41.28 97.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 110.313 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.85 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.421 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.93 91.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.82 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.256 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' 1072 ' ' ARG . 8.1 tpp180 -57.79 -52.22 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.48 -27.64 56.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.68 45.71 2.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -119.07 23.02 11.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.735 0.302 . . . . 0.0 110.748 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' 1078 ' ' PRO . 96.4 mt -63.35 163.65 10.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.369 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.552 ' HB3' HD11 ' A' 1079 ' ' LEU . 31.5 mmmt -93.09 104.19 11.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' 1076 ' ' LEU . 10.3 Cg_endo -88.28 30.92 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.355 2.703 . . . . 0.0 112.676 -175.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' 1077 ' ' LYS . 10.0 mp -65.96 135.22 95.21 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.449 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.64 145.63 23.33 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.522 2.148 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 151.44 -56.45 0.45 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.624 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1082 ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' 1141 ' ' LEU . 10.5 mm-40 -85.8 107.64 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1083 ' ' THR . . . . . 0.429 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 44.7 p -77.02 155.83 32.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.588 ' SD ' ' HB2' ' A' 1206 ' ' GLN . 50.4 ttm -67.47 -30.83 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.429 ' OE1' ' HB ' ' A' 1083 ' ' THR . 3.3 mp0 -57.76 -53.14 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 40.3 tptt -53.75 -52.33 60.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.641 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' 1091 ' ' LEU . 72.6 m -59.38 -54.3 48.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.981 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.1 p -67.28 -38.59 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -70.84 -48.25 55.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.76 -29.66 67.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.641 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.812 HD23 HD12 ' A' 1203 ' ' LEU . 17.4 tp -60.47 -49.48 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.918 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.03 -37.23 94.09 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.4 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.62 -38.7 77.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.664 0.269 . . . . 0.0 110.91 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.452 ' O ' HG13 ' A' 1098 ' ' VAL . 51.1 m -68.12 -33.33 74.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 174.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.888 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.1 m -58.56 -57.39 13.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.026 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -62.65 -38.27 89.64 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.19 -58.33 8.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.283 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.554 HG22 ' HA ' ' A' 1124 ' ' VAL . 14.3 p -73.67 -23.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.15 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 34.8 t -63.85 -38.73 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 0.0 110.275 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 34.5 t -75.05 -28.15 60.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.454 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -71.24 -46.02 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.519 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' 1189 ' ' ALA . 13.1 pt -65.44 -28.45 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -68.27 -31.71 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.329 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 54.3 mtmt -75.74 -26.22 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.812 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.412 HD11 HG11 ' A' 1124 ' ' VAL . 71.6 mt -68.07 -25.64 65.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.624 HD23 HD12 ' A' 1185 ' ' LEU . 97.0 mt -59.57 114.11 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -166.95 -162.99 19.96 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -99.37 -49.05 4.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.096 0.474 . . . . 0.0 110.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.545 HD13 ' HB2' ' A' 1111 ' ' GLN . 22.5 pt -138.8 165.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.531 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -113.72 25.14 11.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.239 0.542 . . . . 0.0 109.863 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1111 ' ' GLN . . . . . 0.545 ' HB2' HD13 ' A' 1109 ' ' ILE . 15.3 mm100 -74.58 -179.93 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.336 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -58.19 -35.77 79.3 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.314 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 11.4 t30 -57.55 -35.53 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.939 0.4 . . . . 0.0 110.912 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -103.34 78.91 1.66 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.055 0.455 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 20.8 m120 -67.63 -20.21 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -57.02 -27.42 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.22 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.527 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -53.28 -46.39 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.202 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -74.7 -40.73 36.84 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.067 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.93 -44.67 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.854 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.05 62.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.324 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.49 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -75.33 -33.73 61.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.197 0.522 . . . . 0.0 109.796 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -70.77 -43.37 68.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.78 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.646 ' O ' ' HG ' ' A' 1128 ' ' LEU . 26.4 m -62.98 -42.04 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.686 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.94 77.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.657 0.265 . . . . 0.0 110.856 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.88 98.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.385 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.69 68.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' 1124 ' ' VAL . 70.9 mt -65.7 -40.56 92.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.52 0.2 . . . . 0.0 111.39 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' 1133 ' ' GLN . 14.4 ptm180 -69.69 -36.13 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.669 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 17.4 m -70.24 -36.12 74.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.015 0.435 . . . . 0.0 110.064 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.518 HD12 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -56.21 -49.02 75.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.465 175.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.486 ' HB3' HD21 ' A' 1064 ' ' LEU . . . -60.33 -44.31 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.618 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.5 mt-30 -58.81 -49.47 77.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.608 -177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.532 ' HB3' HD13 ' A' 1091 ' ' LEU . . . -65.47 -38.3 89.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.478 -176.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.94 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.007 0.432 . . . . 0.0 111.199 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.3 mtp180 -60.75 -40.04 90.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.542 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.93 -48.9 71.65 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.074 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1138 ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' 1151 ' ' VAL . 97.7 t -53.1 -49.95 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.22 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.64 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.721 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.88 -26.37 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.426 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' 1137 ' ' GLY . 88.5 mt -84.11 -42.28 16.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.41 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.446 HG21 HG22 ' A' 1147 ' ' VAL . 10.2 t -71.24 145.75 49.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.754 -176.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 11.7 t -104.35 3.38 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.7 t70 -89.23 112.17 49.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.783 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -73.33 66.97 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.816 2.344 . . . . 0.0 111.84 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.74 -56.02 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.085 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.535 ' O ' HG11 ' A' 1151 ' ' VAL . 24.5 m -66.52 -25.64 35.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.602 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.8 mt-30 -54.36 -49.36 69.99 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.411 0.624 . . . . 0.0 110.479 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.37 59.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.523 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -40.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.522 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' 1147 ' ' VAL . 3.8 p -67.63 -34.35 67.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.05 0.452 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.618 HD12 HG23 ' A' 1067 ' ' ILE . 40.2 mt -77.86 -43.34 30.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.233 0.539 . . . . 0.0 110.33 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1153 ' ' ASP . . . . . 0.653 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 25.9 t70 -61.59 -41.29 97.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.051 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.511 ' O ' HG22 ' A' 1158 ' ' VAL . 18.0 p -66.05 -46.98 75.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.02 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.07 99.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.968 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1156 ' ' SER . . . . . 0.744 ' HA ' HD11 ' A' 1159 ' ' LEU . 23.3 t -66.99 -24.51 66.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.313 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.456 ' O ' ' HD2' ' A' 1161 ' ' LYS . 30.4 t70 -78.35 -31.06 48.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' 1154 ' ' THR . 92.1 t -63.05 -62.36 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.081 0.467 . . . . 0.0 111.14 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' 1156 ' ' SER . 0.2 OUTLIER -65.78 -28.32 68.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.303 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.01 -53.04 13.36 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.29 0.566 . . . . 0.0 111.054 173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' 1157 ' ' ASP . 7.2 mttp -77.52 -26.68 51.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.177 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.456 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -64.86 -35.76 82.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 54.0 m -61.34 -49.62 76.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 4.1 p -69.85 -26.6 64.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.583 0.23 . . . . 0.0 110.885 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.752 ' HG ' HG11 ' A' 1188 ' ' VAL . 2.6 tt -61.28 -52.29 65.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.98 -41.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.924 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' 1171 ' ' LYS . 45.5 mt-10 -59.68 -53.9 52.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.919 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.96 -31.25 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.005 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.85 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.77 -38.41 91.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.163 0.506 . . . . 0.0 109.643 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' 1167 ' ' GLU . 5.6 mptp? -70.84 -23.92 62.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.067 176.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.676 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -61.95 -28.02 69.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.801 0.334 . . . . 0.0 110.704 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1173 ' ' SER . . . . . 0.512 ' HB3' ' OE1' ' A' 1111 ' ' GLN . 20.8 m -68.15 -14.21 62.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.714 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -109.97 8.22 31.45 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.674 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.676 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 97.1 m-70 -105.14 98.46 16.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.45 88.55 1.35 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.424 2.083 . . . . 0.0 112.523 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 60.9 58.64 12.7 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.265 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -103.67 118.08 58.3 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.689 0.28 . . . . 0.0 110.954 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.9 -34.73 70.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.991 2.461 . . . . 0.0 112.571 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' 1184 ' ' ARG . 16.3 mm-40 -64.22 -43.64 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.152 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1181 ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' 1184 ' ' ARG . 39.3 m -62.36 -32.68 73.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.134 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.112 0.482 . . . . 0.0 110.313 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -78.96 -49.81 12.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.287 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' 1180 ' ' GLU . 46.6 mtp85 -54.14 -50.36 67.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.77 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.624 HD12 HD23 ' A' 1106 ' ' LEU . 0.2 OUTLIER -62.93 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.418 -177.554 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.16 -50.3 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.613 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.752 HG11 ' HG ' ' A' 1165 ' ' LEU . 10.3 p -65.16 -32.15 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.593 0.235 . . . . 0.0 111.258 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' 1165 ' ' LEU . . . -65.63 -48.24 72.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.627 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -73.17 -23.1 60.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.74 95.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 109.983 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' 1188 ' ' VAL . 60.9 t -65.64 -37.9 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.054 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 6.9 m -59.18 -46.43 88.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.678 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -70.95 -31.31 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.48 90.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.009 0.433 . . . . 0.0 110.008 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.888 ' HB3' HG23 ' A' 1095 ' ' THR . 70.5 mt -56.77 -50.77 71.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.243 174.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.15 -42.75 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.34 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -60.9 -37.33 81.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.6 t -72.93 -47.42 45.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.296 0.57 . . . . 0.0 110.114 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 20.6 m -68.45 -21.38 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.905 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -37.9 52.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 25.7 p -83.14 -1.33 52.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.699 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.812 HD12 HD23 ' A' 1091 ' ' LEU . 72.3 mt -62.4 130.09 92.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.9 144.09 21.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.46 2.106 . . . . 0.0 111.103 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -90.79 6.0 82.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.473 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.588 ' HB2' ' SD ' ' A' 1084 ' ' MET . 65.0 tt0 58.55 76.0 0.36 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.129 -175.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.362 -179.469 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 25.2 pt -77.49 -0.98 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.547 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.88 137.23 22.24 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.68 101.83 0.81 Allowed 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.711 2.274 . . . . 0.0 111.18 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 28.4 t80 -123.33 20.7 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.487 0.661 . . . . 0.0 110.246 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 6.2 p -89.79 -5.43 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.605 0.717 . . . . 0.0 110.169 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' 1048 ' ' LEU . . . -150.83 75.54 0.25 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.811 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.41 32.44 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.716 2.944 . . . . 0.0 113.642 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1048 ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' 1046 ' ' GLY . 94.4 mt -89.09 31.59 0.87 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.45 -20.6 65.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.176 -173.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.578 ' HE1' ' HB2' ' A' 1117 ' ' ALA . 41.6 mtt -63.13 -36.37 83.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.288 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1052 ' ' SER . . . . . 0.465 ' O ' HG22 ' A' 1056 ' ' VAL . 23.3 m -64.81 -47.2 78.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.994 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' 1057 ' ' VAL . . . -57.21 -41.38 79.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.304 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 27.0 t -62.9 -37.27 86.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' 1052 ' ' SER . 93.8 t -58.86 -49.48 82.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.309 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' 1053 ' ' ALA . 59.2 t -55.64 -43.08 71.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 110.534 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 78.5 mt-30 -61.92 -27.9 69.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.635 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -67.13 -48.76 67.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.247 -0.283 . . . . 0.0 110.556 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.668 HD13 ' HB3' ' A' 1132 ' ' ALA . 3.7 mm? -62.67 -43.99 97.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.564 ' HB3' HD13 ' A' 1159 ' ' LEU . 11.5 pt-20 -60.36 -40.48 90.89 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.181 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' 1058 ' ' GLN . 57.2 mttm -72.57 -33.31 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.419 . . . . 0.0 110.525 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.88 -50.89 70.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.841 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.624 HD23 ' HB1' ' A' 1132 ' ' ALA . 14.5 mt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.087 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' 1061 ' ' GLU . 72.1 mt-30 -61.89 -31.25 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.805 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.453 HG21 HD21 ' A' 1076 ' ' LEU . 2.7 mp -65.86 -36.36 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -58.99 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.12 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.16 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.953 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' 1076 ' ' LEU . . . -69.17 -35.28 76.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 0.0 110.812 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -66.04 -47.01 75.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 39.0 t70 -77.81 -35.81 50.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.995 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 104.18 44.3 1.63 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.54 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -122.25 17.38 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.248 0.219 . . . . 0.0 111.269 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.535 HD11 ' HB1' ' A' 1071 ' ' ALA . 20.2 mt -66.41 157.87 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.977 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' 1077 ' ' LYS . 2.3 mptp? -107.84 101.34 40.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.866 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.47 -19.65 6.29 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.471 2.114 . . . . 0.0 113.833 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.59 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 10.3 mp -77.15 -49.15 2.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 16.8 Cg_exo -71.26 -154.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.125 1.883 . . . . 0.0 111.059 165.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 81.13 2.61 90.55 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.777 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1082 ' ' GLU . . . . . 0.41 ' CD ' ' HZ3' ' A' 1086 ' ' LYS . 37.1 mt-10 62.56 -157.09 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.984 0.514 . . . . 0.0 110.963 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.0 p -95.15 147.17 23.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.402 . . . . 0.0 111.51 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.603 ' HE2' ' HB2' ' A' 1141 ' ' LEU . 55.4 tpp -68.1 -35.62 78.45 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.05 -40.2 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.781 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1086 ' ' LYS . . . . . 0.41 ' HZ3' ' CD ' ' A' 1082 ' ' GLU . 74.0 tttt -70.69 -55.47 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.547 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' 1091 ' ' LEU . 77.6 m -53.7 -46.37 70.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.523 -172.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 20.6 p -67.64 -45.69 74.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.823 0.344 . . . . 0.0 111.498 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -70.61 -41.9 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.09 -34.17 75.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.778 HD23 HD12 ' A' 1203 ' ' LEU . 14.1 tp -60.19 -43.91 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.43 -36.38 92.54 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.068 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1093 ' ' ASN . . . . . 0.502 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.0 m-20 -70.72 -38.23 73.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.709 -0.289 . . . . 0.0 110.524 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.416 ' O ' HG12 ' A' 1098 ' ' VAL . 31.7 m -64.0 -38.73 92.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 109.888 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.822 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.5 m -56.61 -56.33 22.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.24 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.527 ' HZ3' ' HB3' ' A' 1096 ' ' LYS . 0.1 OUTLIER -67.18 -34.87 78.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.0 -55.76 28.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.062 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.602 HG22 HD23 ' A' 1128 ' ' LEU . 13.6 p -75.71 -22.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.4 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.148 0.499 . . . . 0.0 109.823 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 31.8 m -73.51 -24.4 60.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.394 0.616 . . . . 0.0 110.246 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -72.89 -49.22 31.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.449 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.2 pt -65.46 -23.18 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.36 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.803 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.13 -28.55 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.782 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.32 -37.58 68.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.526 HD22 HD11 ' A' 1185 ' ' LEU . 97.5 mt -75.52 86.45 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.682 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -128.85 175.28 18.82 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.401 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -90.27 -153.08 0.28 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.538 HG12 ' HA3' ' A' 1177 ' ' GLY . 37.4 mt -76.39 77.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.424 0.63 . . . . 0.0 109.808 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -115.94 9.44 14.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.96 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.51 155.77 28.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.208 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 131.2 -28.96 3.56 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -172.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -125.5 128.14 47.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.255 -0.973 . . . . 0.0 108.43 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.32 5.56 10.19 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -65.02 -56.29 13.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -56.9 -43.74 81.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.694 0.283 . . . . 0.0 111.576 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.578 ' HB2' ' HE1' ' A' 1050 ' ' MET . . . -60.03 -43.87 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -67.25 -49.26 53.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.292 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.59 -46.23 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.649 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -67.43 -30.66 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -71.07 -35.11 71.76 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.002 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.82 -36.96 56.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.175 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.689 ' O ' ' HG ' ' A' 1128 ' ' LEU . 31.6 m -65.75 -39.9 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.788 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.01 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.007 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.64 -37.59 94.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.519 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1127 ' ' GLY . . . . . 0.454 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -76.3 -38.55 33.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.246 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' 1124 ' ' VAL . 61.2 mt -68.45 -40.5 81.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.258 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.502 ' HA ' ' HG ' ' A' 1060 ' ' LEU . 40.0 ptt180 -66.71 -31.46 72.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.416 . . . . 0.0 110.494 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 31.5 t -75.52 -38.9 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.923 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.402 HD22 HD11 ' A' 1091 ' ' LEU . 1.2 tm? -58.35 -52.74 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.27 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.668 ' HB3' HD13 ' A' 1060 ' ' LEU . . . -60.81 -38.67 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.322 -175.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -64.04 -46.64 83.51 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.404 ' HB2' HD12 ' A' 1091 ' ' LEU . . . -64.39 -33.09 75.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.536 -175.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.48 -32.92 74.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.7 mtm180 -65.77 -40.44 92.02 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.388 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.654 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -50.93 58.51 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.684 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 93.6 t -50.72 -48.48 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.727 0.298 . . . . 0.0 111.379 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -59.63 -46.01 90.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.879 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.07 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.874 0.369 . . . . 0.0 111.451 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1137 ' ' GLY . 47.6 mt -81.13 -36.55 30.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.678 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.489 HG21 HG22 ' A' 1147 ' ' VAL . 15.2 t -69.35 -29.51 67.33 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.552 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 27.5 t 73.07 -39.98 0.46 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 174.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.3 118.12 19.98 Favored Pre-proline 0 N--CA 1.466 0.351 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.81 66.91 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.979 2.453 . . . . 0.0 111.778 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.45 -55.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.707 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.489 HG22 HG21 ' A' 1142 ' ' THR . 27.0 m -67.88 -27.2 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.302 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.647 ' O ' ' HG ' ' A' 1152 ' ' LEU . 95.2 mt-30 -57.4 -46.23 83.7 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 172.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.23 -34.59 75.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -40.77 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.685 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' 1147 ' ' VAL . 4.9 p -67.06 -37.72 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' 1148 ' ' GLN . 29.4 mt -75.86 -42.21 50.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 110.172 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.61 -44.17 96.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.442 ' O ' HG23 ' A' 1158 ' ' VAL . 17.5 p -67.41 -40.55 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.599 0.238 . . . . 0.0 110.853 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.67 84.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.048 0.452 . . . . 0.0 110.524 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1156 ' ' SER . . . . . 0.485 ' HA ' ' HG ' ' A' 1159 ' ' LEU . 26.2 t -66.54 -43.23 85.67 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 176.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' 1161 ' ' LYS . 24.8 t70 -56.25 -32.91 64.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 110.008 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1154 ' ' THR . 97.8 t -61.37 -56.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.633 174.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -71.37 -30.96 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.673 -175.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.486 ' N ' HD12 ' A' 1159 ' ' LEU . 8.5 m-20 -58.38 -48.41 80.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.115 0.483 . . . . 0.0 110.048 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' 1157 ' ' ASP . 4.8 mptp? -75.69 -34.44 60.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.683 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -60.55 -37.0 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.682 177.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' 1167 ' ' GLU . 22.7 t -59.24 -54.51 46.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.555 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.3 t -64.02 -29.77 70.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.779 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.716 ' HG ' HG11 ' A' 1188 ' ' VAL . 1.3 tt -61.76 -50.51 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 177.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 74.9 mt -72.13 -39.34 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.055 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.4 mt-10 -63.77 -41.43 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.652 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.618 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 20.6 tp10 -64.22 -44.96 90.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.281 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.63 75.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -56.48 -39.28 72.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.618 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 42.3 mtmt -80.36 -42.68 22.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.385 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.61 71.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.829 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 49.8 m -65.07 -30.51 71.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 0.0 110.923 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -80.39 6.51 60.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.78 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.897 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 15.2 m-70 -122.16 106.4 36.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.74 90.04 0.62 Allowed 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.693 2.262 . . . . 0.0 112.568 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1177 ' ' GLY . . . . . 0.538 ' HA3' HG12 ' A' 1109 ' ' ILE . . . 73.02 59.9 4.09 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.664 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.897 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 13.5 t70 -97.54 119.36 62.89 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.525 0.202 . . . . 0.0 110.949 -174.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.63 -33.91 76.08 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' 1184 ' ' ARG . 37.6 mt-10 -74.63 -44.76 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.525 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 48.8 m -66.82 -41.96 86.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.183 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.28 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.799 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -69.99 -37.38 75.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.826 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' 1180 ' ' GLU . 36.8 mtt180 -64.68 -42.5 95.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.526 HD11 HD22 ' A' 1106 ' ' LEU . 0.3 OUTLIER -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.022 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.65 93.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -61.5 -47.07 87.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.515 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.716 HG11 ' HG ' ' A' 1165 ' ' LEU . 11.6 p -74.25 -34.04 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -174.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.05 90.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.413 0.625 . . . . 0.0 109.762 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 52.6 tttp -62.88 -40.51 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.047 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.98 92.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.071 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.712 HG23 HD13 ' A' 1165 ' ' LEU . 61.8 t -60.01 -39.7 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.439 . . . . 0.0 110.152 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -43.0 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.592 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.93 -38.89 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.848 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.702 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.822 ' HB3' HG23 ' A' 1095 ' ' THR . 69.0 mt -53.98 -51.19 64.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.493 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' 1200 ' ' VAL . 0.7 OUTLIER -55.56 -51.34 67.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.477 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.53 -23.69 64.56 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.195 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 16.7 t -73.5 -47.93 37.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' 1197 ' ' ASN . 11.2 m -69.79 -23.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.073 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.1 -31.31 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.283 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.6 p -86.25 -1.84 57.84 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 122.226 -0.296 . . . . 0.0 111.398 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.778 HD12 HD23 ' A' 1091 ' ' LEU . 89.9 mt -70.08 134.07 87.61 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.99 116.21 4.64 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.593 2.195 . . . . 0.0 110.181 166.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -80.46 48.58 3.67 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.339 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 58.5 95.03 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.54 0.686 . . . . 0.0 111.108 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.102 179.553 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.97 165.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.593 0.235 . . . . 0.0 110.763 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' 1043 ' ' PRO . 38.9 t70 -68.12 115.93 33.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.838 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1042 ' ' ASP . 5.5 Cg_endo -85.38 72.67 4.33 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.163 2.575 . . . . 0.0 113.131 -173.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1044 ' ' PHE . . . . . 0.493 ' C ' ' H ' ' A' 1046 ' ' GLY . 12.4 m-85 -120.49 -113.97 0.32 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.288 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 59.6 p 62.28 -32.26 0.09 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.259 1.424 . . . . 0.0 113.526 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.493 ' H ' ' C ' ' A' 1044 ' ' PHE . . . -146.41 54.67 0.54 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.882 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1047 ' ' PRO . . . . . 0.455 ' HG3' ' HD2' ' A' 1044 ' ' PHE . 85.9 Cg_endo -87.69 -10.09 5.39 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.418 2.078 . . . . 0.0 111.538 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.99 29.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.097 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.9 -26.72 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.213 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.66 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 52.6 mtt -54.6 -57.06 12.9 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.004 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.92 -30.5 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.564 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 40.2 t -62.26 -51.28 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.21 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' 1125 ' ' ALA . . . -64.09 -40.37 96.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.288 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.485 ' HB2' HG21 ' A' 1166 ' ' ILE . 65.0 tp -54.53 -42.65 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.346 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.9 t -56.66 -43.12 80.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.321 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.541 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.1 t -67.11 -47.17 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.303 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' 1053 ' ' ALA . 59.2 t -56.04 -42.67 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.03 -36.68 75.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.589 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -76.1 -33.5 59.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.82 0.343 . . . . 0.0 110.373 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.6 mt -64.64 -44.31 90.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.288 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.517 ' N ' HD11 ' A' 1159 ' ' LEU . 6.5 pt-20 -66.4 -39.75 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 91.2 mttt -67.71 -34.89 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.051 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.7 -45.99 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.971 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.847 HD22 ' HB3' ' A' 1132 ' ' ALA . 19.1 mt -68.61 -32.12 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.037 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.03 -39.32 91.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.287 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.37 -41.86 98.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.567 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.473 HG22 HD12 ' A' 1076 ' ' LEU . 74.9 mt -67.9 -30.45 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.3 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' 1152 ' ' LEU . 49.1 mtmt -61.31 -35.15 76.59 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.933 0.396 . . . . 0.0 110.388 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.48 63.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.82 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.228 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -66.15 -35.94 81.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -65.5 -44.79 85.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.654 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -8.86 58.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 75.84 34.66 47.59 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.733 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -100.18 -19.54 16.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' A' 1140 ' ' ALA . 60.7 tp -80.13 109.14 14.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.026 -172.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.414 ' HA ' ' HB3' ' A' 1140 ' ' ALA . 4.1 mppt? -120.42 151.0 53.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 169.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.628 ' HB3' ' HA2' ' A' 1137 ' ' GLY . 13.1 Cg_endo -94.16 -67.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.201 1.934 . . . . 0.0 111.89 -176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.747 HD22 ' N ' ' A' 1079 ' ' LEU . 0.8 OUTLIER -173.81 156.39 2.63 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.616 -175.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -92.09 100.11 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.639 2.226 . . . . 0.0 111.984 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 153.79 -68.41 0.3 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.581 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1082 ' ' GLU . . . . . 0.541 ' OE1' ' HG2' ' A' 1086 ' ' LYS . 23.9 mm-40 -79.16 136.66 37.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.825 0.345 . . . . 0.0 110.321 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1083 ' ' THR . . . . . 0.445 ' HG1' ' CD ' ' A' 1085 ' ' GLU . 0.8 OUTLIER -109.55 -172.51 2.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.441 -178.078 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.421 ' N ' HD12 ' A' 1141 ' ' LEU . 51.5 ttm -63.5 -32.7 74.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.445 ' CD ' ' HG1' ' A' 1083 ' ' THR . 0.0 OUTLIER -67.81 -27.4 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.152 -178.02 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1086 ' ' LYS . . . . . 0.541 ' HG2' ' OE1' ' A' 1082 ' ' GLU . 2.7 mptm? -68.93 -56.09 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.314 172.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 64.8 m -62.74 -30.86 71.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.841 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1088 ' ' THR . . . . . 0.518 HG23 HD11 ' A' 1203 ' ' LEU . 15.3 p -69.16 -33.49 73.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.706 0.288 . . . . 0.0 110.907 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -73.88 -39.48 63.89 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.0 -40.8 81.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.118 0.485 . . . . 0.0 109.977 174.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.497 HD22 HD12 ' A' 1203 ' ' LEU . 14.1 tp -61.97 -54.08 46.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.123 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.56 91.06 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.652 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.958 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.515 ' O ' HG13 ' A' 1098 ' ' VAL . 16.3 m -65.04 -38.71 91.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.052 0.453 . . . . 0.0 109.877 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.845 HG21 ' HB3' ' A' 1196 ' ' LEU . 93.4 m -58.75 -57.02 14.88 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.261 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -61.94 -35.95 79.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.01 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.809 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' 1094 ' ' SER . 8.9 p -70.32 -29.97 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.415 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 10.3 t -61.52 -41.64 97.63 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.227 0.536 . . . . 0.0 109.906 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 39.2 t -70.9 -32.33 69.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.346 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.79 67.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' 1106 ' ' LEU . 28.1 pt -63.26 -27.14 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.117 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.749 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' 1104 ' ' LYS . 23.2 ttmm -74.99 -24.5 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.59 HD21 ' HE2' ' A' 1050 ' ' MET . 82.9 mt -68.32 -38.8 81.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 175.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' 1189 ' ' ALA . 31.6 mt -66.98 -46.82 73.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.28 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 145.81 165.41 11.37 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.165 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -119.18 160.02 22.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 37.4 pt -92.54 -14.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.572 . . . . 0.0 109.615 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -90.41 -61.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.745 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.56 -75.52 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.484 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 61.8 47.98 86.86 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.258 -0.973 . . . . 0.0 110.916 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -93.54 154.88 17.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.007 -172.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.19 92.27 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.756 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 17.2 t-20 173.27 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.683 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -75.06 -25.63 58.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.018 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.66 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -50.23 -53.46 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.565 0.541 . . . . 0.0 111.995 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.39 -36.6 78.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.413 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.97 -52.6 58.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.722 0.296 . . . . 0.0 111.166 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.2 61.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.392 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' 1050 ' ' MET . . . -70.31 -28.45 65.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.593 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.26 -30.43 57.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 109.702 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.59 -47.35 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.682 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.2 m -59.09 -39.73 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.682 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' 1053 ' ' ALA . . . -59.15 -45.82 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.58 -42.43 98.83 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.167 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.79 -46.33 89.98 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.311 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.7 mt -67.05 -42.31 85.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -66.27 -30.6 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.55 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 18.2 m -78.11 -39.05 42.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -49.05 76.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.847 ' HB3' HD22 ' A' 1064 ' ' LEU . . . -57.35 -48.41 79.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.669 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 49.1 mt-30 -70.7 -35.8 72.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.408 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.75 91.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.12 93.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.643 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 1132 ' ' ALA . 47.5 mtp180 -54.8 -50.13 69.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.628 ' HA2' ' HB3' ' A' 1078 ' ' PRO . . . -55.94 -50.24 62.48 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.975 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 79.8 t -55.5 -47.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.662 0.267 . . . . 0.0 111.353 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.435 ' HB1' ' CG1' ' A' 1151 ' ' VAL . . . -67.17 -38.82 86.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.038 0.447 . . . . 0.0 111.368 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' A' 1076 ' ' LEU . . . -71.31 -25.86 62.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.61 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' 1084 ' ' MET . 38.2 mt -84.09 -30.75 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.783 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 8.3 t -82.58 155.77 24.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 31.9 p -113.26 4.01 16.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 0.0 110.902 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.53 113.53 49.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -76.2 66.52 7.02 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.471 2.114 . . . . 0.0 112.142 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.45 -56.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.074 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' 1151 ' ' VAL . 18.4 m -64.39 -30.72 50.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.728 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.624 ' O ' ' HG ' ' A' 1152 ' ' LEU . 46.0 mt-30 -53.31 -52.46 59.06 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.129 0.49 . . . . 0.0 110.877 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.4 66.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -40.96 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.791 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -69.58 -36.36 70.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' 1148 ' ' GLN . 38.6 mt -75.38 -42.91 52.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.416 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.0 -41.47 98.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.104 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.592 HG22 ' HE ' ' A' 1198 ' ' ARG . 23.1 p -68.81 -43.99 74.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.524 177.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.52 92.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.701 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1156 ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 10.8 t -68.57 -26.61 65.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.199 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.58 -32.18 60.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' 1154 ' ' THR . 96.8 t -55.93 -57.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.251 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.517 HD11 ' N ' ' A' 1061 ' ' GLU . 2.1 pt? -77.73 -28.67 50.87 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.109 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -50.07 -44.74 51.97 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.2 0.524 . . . . 0.0 110.627 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.4 mptt -76.46 -28.64 56.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.588 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' 1166 ' ' ILE . . . -69.71 -32.17 70.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.368 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' 1167 ' ' GLU . 43.1 m -59.34 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.151 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 3.7 p -72.55 -22.52 61.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.877 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.829 ' HG ' HG11 ' A' 1188 ' ' VAL . 2.5 tt -63.58 -50.86 67.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.485 HG21 ' HB2' ' A' 1054 ' ' LEU . 65.5 mt -68.07 -40.53 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.662 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.437 ' HG2' HD23 ' A' 1054 ' ' LEU . 32.1 mt-10 -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 110.932 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.25 -47.85 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1169 ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' 1185 ' ' LEU . . . -64.09 -31.59 72.83 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -59.88 -42.07 92.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.074 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -79.69 -30.05 40.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.573 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.58 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -62.54 -25.94 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 49.2 m -66.06 -19.81 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.449 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -88.26 7.49 81.38 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.741 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.58 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 83.3 m-70 -108.81 134.77 20.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 5.9 Cg_exo -78.96 23.22 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.03 2.487 . . . . 0.0 112.663 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 110.21 79.29 1.05 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 8.6 t0 -111.54 131.1 22.49 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.574 0.226 . . . . 0.0 110.739 -172.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.402 ' HA ' ' OE1' ' A' 1182 ' ' GLN . 27.8 Cg_endo -63.74 -31.24 69.15 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.486 2.124 . . . . 0.0 112.613 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.43 -34.8 61.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 13.2 p -69.12 -30.5 68.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1182 ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' 1179 ' ' PRO . 97.2 mt-30 -62.88 -32.65 73.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.079 173.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' 1187 ' ' GLN . 59.3 mt-30 -76.27 -44.52 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.502 ' HD2' ' OE1' ' A' 1187 ' ' GLN . 17.5 mmm180 -59.39 -48.31 82.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.786 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' 1106 ' ' LEU . 3.5 mm? -55.22 -45.14 75.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1186 ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' 1190 ' ' LYS . . . -63.96 -40.8 97.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.294 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' 1183 ' ' GLN . 98.1 mt-30 -60.52 -49.83 76.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.096 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.829 HG11 ' HG ' ' A' 1165 ' ' LEU . 14.4 p -76.55 -31.09 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.418 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.706 ' HB2' HD23 ' A' 1106 ' ' LEU . . . -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' 1186 ' ' ALA . 14.5 mmmm -66.87 -29.34 69.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.16 99.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.105 0.479 . . . . 0.0 110.07 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.556 HG21 HD13 ' A' 1165 ' ' LEU . 39.6 t -67.53 -38.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.048 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 22.5 m -60.33 -42.91 96.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.362 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' 1158 ' ' VAL . . . -60.17 -43.47 95.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.949 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.845 ' HB3' HG21 ' A' 1095 ' ' THR . 86.2 mt -56.42 -52.57 64.17 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.938 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.95 -38.71 89.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1198 ' ' ARG . . . . . 0.592 ' HE ' HG22 ' A' 1154 ' ' THR . 22.7 ttt180 -60.43 -37.12 79.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.988 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 21.0 t -74.24 -47.92 32.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.23 0.538 . . . . 0.0 110.101 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 17.8 m -69.3 -23.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.22 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.2 t -78.26 -34.97 48.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.682 0.277 . . . . 0.0 111.076 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -81.44 -1.54 46.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 111.443 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.518 HD11 HG23 ' A' 1088 ' ' THR . 94.8 mt -58.72 138.85 86.46 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.9 118.19 5.03 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.854 2.369 . . . . 0.0 112.165 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -77.88 79.18 1.46 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.717 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -64.86 115.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.415 0.626 . . . . 0.0 110.977 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.853 179.407 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1041 ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' 1044 ' ' PHE . 8.1 tp -87.67 125.89 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.045 0.45 . . . . 0.0 110.354 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.486 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 26.9 t70 -79.59 -54.43 0.94 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.991 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 87.7 Cg_endo -78.93 58.76 7.06 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.984 1.789 . . . . 0.0 112.109 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1044 ' ' PHE . . . . . 0.628 ' HB3' HG22 ' A' 1041 ' ' ILE . 34.7 p90 -82.24 13.31 3.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.154 0.502 . . . . 0.0 111.343 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 46.3 p -85.86 0.5 52.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.763 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 101.47 84.25 1.79 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.436 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.52 91.32 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.691 2.261 . . . . 0.0 111.796 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 81.9 mt -90.84 -166.83 1.67 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.44 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 41.8 mt-10 -71.27 -20.08 62.26 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.395 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.411 ' HE3' ' HB2' ' A' 1169 ' ' ALA . 52.0 mtt -71.6 -38.92 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.59 -38.66 85.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 110.526 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1052 ' ' SER . . . . . 0.501 ' O ' HG22 ' A' 1056 ' ' VAL . 9.3 m -64.24 -31.64 72.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.806 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.23 41.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.209 0.528 . . . . 0.0 110.419 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -42.96 99.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 14.8 p -61.63 -35.39 77.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' 1052 ' ' SER . 58.5 t -61.86 -51.66 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.419 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' 1159 ' ' LEU . 63.5 t -57.73 -41.4 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.644 ' O ' ' HG3' ' A' 1062 ' ' LYS . 74.3 mt-30 -57.51 -44.27 84.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -73.49 -28.06 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.164 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.4 mt -67.85 -47.96 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.519 ' HB3' HD11 ' A' 1159 ' ' LEU . 11.6 pt-20 -63.96 -40.56 96.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.21 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' 1058 ' ' GLN . 28.2 mtpp -62.11 -36.23 81.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.406 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.453 ' O ' HG13 ' A' 1067 ' ' ILE . 21.8 t0 -64.66 -50.54 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.048 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.66 HD21 ' HB2' ' A' 1132 ' ' ALA . 13.9 mt -65.98 -29.54 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.231 -175.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.1 mt-30 -64.07 -38.43 91.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.96 0.409 . . . . 0.0 110.416 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -71.45 -33.0 68.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.397 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1063 ' ' ASP . 68.8 mt -73.58 -32.02 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.795 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1064 ' ' LEU . 98.3 mttt -60.83 -40.0 91.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 109.761 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.54 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.232 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.15 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.191 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.15 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.007 0.432 . . . . 0.0 110.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -66.23 -38.19 87.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.817 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.97 -52.82 57.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.398 0.618 . . . . 0.0 109.95 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 120.17 11.58 6.78 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.949 -172.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -82.57 -68.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.629 0.252 . . . . 0.0 110.822 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 11.1 mt 53.92 -168.5 0.06 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -125.78 83.33 62.67 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.507 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.69 -64.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 9.7 mp 58.64 85.78 0.18 Allowed Pre-proline 0 C--O 1.234 0.239 0 O-C-N 123.699 0.624 . . . . 0.0 111.172 -177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.83 124.9 14.6 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.021 2.48 . . . . 0.0 111.793 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 123.68 -30.36 4.91 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.65 117.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.008 0.433 . . . . 0.0 109.929 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.4 p -96.2 156.39 16.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.3 ttm -66.02 -38.19 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.074 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.33 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1086 ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' 1086 ' ' LYS . 1.2 tmtp? -70.03 -46.63 64.63 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' 1091 ' ' LEU . 65.0 m -65.38 -44.33 87.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.385 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 28.9 p -64.77 -37.74 88.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.47 -47.26 67.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.331 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.78 -44.42 96.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.776 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.7 HD13 HG12 ' A' 1200 ' ' VAL . 0.3 OUTLIER -53.91 -54.17 42.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.871 177.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.11 95.22 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.087 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1093 ' ' ASN . . . . . 0.545 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 94.9 m-20 -64.88 -35.71 82.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.74 0.27 . . . . 0.0 111.384 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.573 ' O ' HG13 ' A' 1098 ' ' VAL . 50.3 m -75.3 -35.28 61.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.774 0.321 . . . . 0.0 110.173 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.656 HG21 HD12 ' A' 1196 ' ' LEU . 22.9 m -56.31 -56.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.459 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 57.5 pttt -63.6 -35.63 81.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.006 0.432 . . . . 0.0 110.649 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.44 -59.74 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.33 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' 1094 ' ' SER . 6.0 p -68.14 -27.67 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.584 0.23 . . . . 0.0 110.986 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.8 t -65.49 -42.25 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 64.4 m -75.54 -25.83 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.087 0.47 . . . . 0.0 110.564 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.04 -43.39 67.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.21 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.46 ' HA ' HD13 ' A' 1105 ' ' LEU . 16.4 pt -65.87 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 178.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.47 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.047 0.451 . . . . 0.0 110.05 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -75.04 -29.75 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.502 HD11 HD23 ' A' 1165 ' ' LEU . 84.0 mt -64.38 -42.37 96.19 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.905 173.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.76 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.826 173.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 95.87 148.6 24.45 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.574 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -83.63 155.31 23.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.11 78.98 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.452 0.644 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 175.45 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.497 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -175.57 143.15 0.61 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.06 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -141.82 -37.41 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.235 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 65.0 t30 -84.37 149.6 25.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.916 0.358 . . . . 0.0 110.188 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 68.75 144.57 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.912 0.757 . . . . 0.0 111.409 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 65.6 t30 68.95 -63.33 0.37 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -61.16 -30.62 70.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.639 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.74 -51.81 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.231 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1118 ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -77.6 -43.51 15.03 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.005 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.87 -50.34 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.34 77.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.408 ' HB1' ' HG2' ' A' 1050 ' ' MET . . . -64.06 -37.81 88.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.423 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -64.8 -42.15 95.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.317 0.58 . . . . 0.0 110.316 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.41 -39.87 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.181 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.713 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.3 m -64.37 -44.25 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.457 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.593 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -60.46 -45.89 92.08 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.84 0.353 . . . . 0.0 110.562 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.95 99.77 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.155 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1127 ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' 1131 ' ' LEU . . . -63.12 -39.89 98.53 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.191 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 1124 ' ' VAL . 71.7 mt -70.33 -29.37 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 -176.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' 1125 ' ' ALA . 25.5 mtm180 -62.2 -55.4 28.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.399 0.619 . . . . 0.0 110.04 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 16.5 m -65.38 -34.52 78.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.623 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' 1127 ' ' GLY . 0.5 OUTLIER -55.86 -48.97 74.57 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.587 175.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.66 ' HB2' HD21 ' A' 1064 ' ' LEU . . . -61.33 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.068 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.16 -55.03 23.55 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.579 0.549 . . . . 0.0 112.113 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.79 79.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.14 83.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.287 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.2 mmp_? -67.64 -44.17 78.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.027 0.441 . . . . 0.0 109.879 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.52 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -59.82 -47.29 91.71 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.133 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1138 ' ' VAL . . . . . 0.536 HG21 HD21 ' A' 1203 ' ' LEU . 55.0 t -51.95 -51.69 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.658 0.266 . . . . 0.0 111.276 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.34 -32.79 74.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.688 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -76.68 -26.48 54.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.419 -178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' 1137 ' ' GLY . 93.9 mt -83.94 -39.46 19.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.435 -177.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.585 HG23 ' HG2' ' A' 1148 ' ' GLN . 7.3 t -79.74 150.76 30.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.97 0.414 . . . . 0.0 110.537 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 20.1 m -109.57 8.34 25.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.716 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' 1148 ' ' GLN . 32.2 t70 -80.53 112.34 30.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.6 Cg_exo -74.95 67.45 5.89 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.894 2.396 . . . . 0.0 111.884 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.04 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.342 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.567 ' O ' HG11 ' A' 1151 ' ' VAL . 33.9 m -69.23 -27.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.131 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.651 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.1 mt-30 -59.77 -52.95 63.27 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 120.754 0.311 . . . . 0.0 111.275 -178.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.86 69.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.183 0.515 . . . . 0.0 110.765 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' 1150 ' ' ILE . 1.4 mm -69.78 -43.86 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.771 -175.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' 1147 ' ' VAL . 3.0 p -66.11 -32.17 56.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.336 0.588 . . . . 0.0 110.868 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -74.79 -43.66 53.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.18 -46.26 87.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.483 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.611 ' O ' HG21 ' A' 1158 ' ' VAL . 8.7 p -58.76 -50.02 75.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.415 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1155 ' ' ALA . . . . . 0.492 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -57.91 -34.08 69.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 111.119 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.96 78.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.19 -32.92 74.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' 1154 ' ' THR . 29.6 t -57.97 -56.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.218 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.4 pp -70.49 -29.47 66.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.918 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.512 ' N ' HD13 ' A' 1159 ' ' LEU . 20.3 t70 -55.14 -49.47 71.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.057 0.456 . . . . 0.0 110.524 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.0 mptt -74.24 -30.95 62.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -64.53 -35.63 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 30.0 t -59.11 -51.86 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.064 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.8 m -63.21 -34.49 77.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.345 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.586 ' HG ' HG11 ' A' 1188 ' ' VAL . 1.6 tt -62.86 -50.64 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.434 ' HA ' ' HE2' ' A' 1170 ' ' LYS . 7.1 mt-10 -69.42 -36.61 76.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.852 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.547 ' HG3' HD22 ' A' 1185 ' ' LEU . 7.7 tp10 -61.8 -46.97 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1169 ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' 1172 ' ' ALA . . . -68.05 -30.75 70.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1170 ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' 1167 ' ' GLU . 34.8 ttpt -58.52 -39.74 80.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.138 174.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -81.1 -24.01 38.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.502 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.738 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -77.0 -32.48 57.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.616 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.1 m -59.08 106.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 0.0 110.592 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 123.78 -8.48 8.72 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.16 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.738 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 92.3 m-70 -92.11 113.45 59.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -92.99 31.03 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.25 2.633 . . . . 0.0 112.626 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 132.8 55.91 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.873 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.73 128.01 33.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.91 -52.13 8.71 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.252 2.634 . . . . 0.0 112.875 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.688 ' O ' ' HG2' ' A' 1184 ' ' ARG . 34.8 mm-40 -64.84 -45.34 86.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.4 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1181 ' ' SER . . . . . 0.448 ' O ' HD23 ' A' 1185 ' ' LEU . 23.3 t -54.42 -49.55 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -176.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -59.89 -36.67 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -77.81 -41.65 36.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.688 ' HG2' ' O ' ' A' 1180 ' ' GLU . 32.1 mmt180 -61.13 -49.54 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.415 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.68 HD21 ' HB1' ' A' 1172 ' ' ALA . 4.4 mm? -62.68 -46.77 86.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.31 85.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 111.558 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -66.64 -52.31 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.48 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.586 HG11 ' HG ' ' A' 1165 ' ' LEU . 11.0 p -69.43 -32.57 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.536 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -64.55 -51.19 64.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.53 -22.59 61.0 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.409 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.91 95.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.758 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.486 HG22 HD13 ' A' 1165 ' ' LEU . 87.9 t -58.74 -44.55 90.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.699 173.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1193 ' ' THR . . . . . 0.643 ' HA ' ' HG ' ' A' 1196 ' ' LEU . 2.4 m -62.07 -43.73 98.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.511 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -63.44 -27.53 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.52 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -76.39 -49.04 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.656 HD12 HG21 ' A' 1095 ' ' THR . 4.3 pp -65.36 -41.9 93.35 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.548 0.689 . . . . 0.0 110.912 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.615 ' N ' HD11 ' A' 1196 ' ' LEU . 0.1 OUTLIER -64.24 -33.2 75.27 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.431 178.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -75.59 -29.5 59.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.159 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1199 ' ' CYS . . . . . 0.444 ' O ' ' HG ' ' A' 1203 ' ' LEU . 10.1 t -65.86 -43.73 87.55 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.19 0.519 . . . . 0.0 109.641 -173.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.7 HG12 HD13 ' A' 1091 ' ' LEU . 31.3 m -67.28 -31.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.343 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 53.7 m -77.38 -21.65 52.89 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.737 0.304 . . . . 0.0 111.578 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 77.3 m -83.2 -18.64 38.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.859 0.361 . . . . 0.0 110.757 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' 1091 ' ' LEU . 84.8 mt -66.05 140.27 96.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.122 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -57.11 103.04 0.12 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.571 2.181 . . . . 0.0 111.422 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -85.97 -4.06 84.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.624 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -100.38 22.09 12.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 111.266 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.557 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 69.2 mt 73.89 -53.98 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 123.512 0.725 . . . . 0.0 111.172 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 34.8 t70 61.1 95.92 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.813 0.445 . . . . 0.0 110.577 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.405 ' HA ' ' OG ' ' A' 1052 ' ' SER . 73.2 Cg_exo -48.62 114.31 1.16 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.068 2.512 . . . . 0.0 112.128 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 69.1 t80 -157.94 100.91 1.75 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.414 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1045 ' ' THR . . . . . 0.634 HG22 ' HB2' ' A' 1052 ' ' SER . 46.5 p -123.12 -33.85 3.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.47 0.652 . . . . 0.0 110.088 174.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 152.3 -99.87 0.2 Allowed Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.25 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -93.38 -1.72 3.36 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.07 2.513 . . . . 0.0 113.202 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 96.2 mt -118.14 109.31 16.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 111.859 -173.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.405 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 49.1 mm-40 -76.5 -39.38 53.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.542 ' HG2' ' HB1' ' A' 1121 ' ' ALA . 61.2 mtt -54.93 -55.16 33.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.872 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -38.51 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.789 -173.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1052 ' ' SER . . . . . 0.634 ' HB2' HG22 ' A' 1045 ' ' THR . 6.8 t -77.49 -39.72 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.671 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' 1057 ' ' VAL . . . -63.53 -36.86 85.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 65.9 tp -54.51 -44.92 73.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.601 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 48.0 m -58.03 -39.91 79.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.707 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 46.2 t -64.07 -46.91 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' 1053 ' ' ALA . 30.0 t -64.6 -38.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.13 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.67 -28.8 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 0.0 111.406 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -75.97 -26.32 56.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.807 0.337 . . . . 0.0 110.574 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' 1064 ' ' LEU . 85.4 mt -70.85 -47.78 57.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.803 ' HB3' HD13 ' A' 1159 ' ' LEU . 5.2 pt-20 -59.43 -39.92 85.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.3 mttp -74.29 -26.1 59.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.88 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.81 -47.33 66.38 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.698 HD22 ' HB2' ' A' 1132 ' ' ALA . 30.7 mt -60.04 -32.03 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 1061 ' ' GLU . 79.0 mt-30 -61.5 -38.42 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.299 . . . . 0.0 110.765 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.7 -48.25 64.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.144 0.497 . . . . 0.0 110.357 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.667 HG12 ' HD2' ' A' 1136 ' ' ARG . 2.0 mp -64.26 -33.9 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.476 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -64.69 -39.72 94.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 110.311 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.38 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.76 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.716 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' 1072 ' ' ARG . 9.9 tpt180 -59.35 -55.35 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.645 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.68 -30.63 65.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 101.0 39.81 3.01 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -120.86 19.04 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.92 155.64 22.98 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -107.21 104.32 51.77 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.792 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.94 -7.08 12.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.047 1.831 . . . . 0.0 110.667 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' 1080 ' ' PRO . 8.3 mp -51.67 -46.63 91.28 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 114.765 -1.107 . . . . 0.0 113.149 -177.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' 1079 ' ' LEU . 5.2 Cg_endo -48.63 -25.72 8.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.921 2.414 . . . . 0.0 113.305 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 69.36 50.84 30.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.23 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -84.56 169.38 14.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.7 p -122.28 130.13 52.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.698 0.285 . . . . 0.0 110.286 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.29 -34.78 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.21 -31.13 71.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1086 ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' 1086 ' ' LYS . 17.3 mmmt -79.18 -46.16 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.674 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 78.6 m -60.64 -41.11 94.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.712 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1088 ' ' THR . . . . . 0.401 HG22 HD12 ' A' 1203 ' ' LEU . 31.9 p -70.57 -41.44 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -31.81 73.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.65 HD21 HD13 ' A' 1203 ' ' LEU . 16.1 tp -62.62 -51.58 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.505 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -60.97 -39.72 97.42 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.458 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1093 ' ' ASN . . . . . 0.502 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.6 m-20 -66.07 -40.64 91.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.668 0.27 . . . . 0.0 110.978 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 21.2 m -67.4 -31.0 70.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.826 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.2 m -59.23 -50.65 73.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.702 175.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 49.0 mtmt -59.95 -39.6 86.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.83 42.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.754 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.484 HG23 HD22 ' A' 1128 ' ' LEU . 7.7 p -75.48 -23.2 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.672 0.272 . . . . 0.0 111.13 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 27.2 t -66.79 -39.05 87.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.765 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 9.2 p -75.04 -28.32 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.223 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.97 64.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.347 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.517 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.7 pt -64.05 -22.85 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.95 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.68 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.863 ' HB2' ' HB1' ' A' 1120 ' ' ALA . 71.7 mmtt -77.04 -24.74 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.569 HD13 HD21 ' A' 1165 ' ' LEU . 70.0 mt -64.66 -24.31 67.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.1 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.22 131.13 44.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.784 0.325 . . . . 0.0 110.312 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -75.23 67.93 2.1 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.63 -172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.35 118.18 24.51 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 110.151 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.575 HD11 ' HA ' ' A' 1114 ' ' GLU . 47.4 mm -96.88 129.7 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.808 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -118.12 125.26 49.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 14.7 mm100 61.04 23.04 13.25 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.545 0.528 . . . . 0.0 111.69 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 80.5 10.52 85.19 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.404 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.25 103.86 12.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.247 0.546 . . . . 0.0 110.398 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.575 ' HA ' HD11 ' A' 1109 ' ' ILE . 31.2 tt0 -98.84 -6.62 28.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.251 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -61.54 -20.71 63.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.044 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -51.38 -40.92 60.23 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.129 0.268 . . . . 0.0 111.707 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.436 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -58.28 -49.82 75.79 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.997 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1118 ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -71.11 -43.9 55.43 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.33 -43.24 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 111.176 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1120 ' ' ALA . . . . . 0.863 ' HB1' ' HB2' ' A' 1104 ' ' LYS . . . -64.82 -50.03 68.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.221 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.542 ' HB1' ' HG2' ' A' 1050 ' ' MET . . . -63.07 -31.01 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -70.47 -40.43 73.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.248 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.55 -36.2 44.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.72 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.5 m -59.14 -41.4 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.456 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -59.13 -41.16 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.637 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -68.76 -41.8 81.8 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.042 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.46 90.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.36 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.6 mt -66.92 -40.97 87.79 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -69.55 -26.89 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.584 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 13.3 m -79.3 -37.66 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -53.23 60.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.825 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.698 ' HB2' HD22 ' A' 1064 ' ' LEU . . . -56.9 -48.82 77.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.055 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -65.6 -37.92 88.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.567 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.1 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.581 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.73 97.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.085 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.667 ' HD2' HG12 ' A' 1067 ' ' ILE . 51.2 mtm180 -60.88 -37.67 82.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.602 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -62.23 -49.69 72.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.694 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 74.3 t -53.39 -46.15 57.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.077 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.12 -43.6 98.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.584 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.76 64.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 53.3 mt -88.13 -29.51 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.065 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.459 HG23 HG21 ' A' 1147 ' ' VAL . 4.6 t -74.07 153.33 39.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 9.5 m -82.4 -46.48 13.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.172 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.68 117.09 38.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.963 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.57 65.59 8.9 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.443 2.096 . . . . 0.0 111.752 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -162.35 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.79 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' 1151 ' ' VAL . 27.2 m -63.54 -22.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.021 171.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.654 ' O ' ' HG ' ' A' 1152 ' ' LEU . 78.7 mt-30 -55.65 -47.05 77.31 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.459 173.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.18 66.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -67.93 -39.47 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.716 -176.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' 1147 ' ' VAL . 2.8 p -68.97 -35.87 71.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.099 0.476 . . . . 0.0 110.571 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1148 ' ' GLN . 39.7 mt -75.42 -42.19 54.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.44 -49.29 72.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.56 ' O ' HG22 ' A' 1158 ' ' VAL . 11.1 p -65.76 -40.58 92.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.42 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.07 0.462 . . . . 0.0 110.529 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 30.6 m -67.61 -42.48 82.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.237 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.35 -39.27 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.588 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' 1154 ' ' THR . 91.9 t -56.23 -59.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.6 pp -67.88 -30.44 69.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.449 ' N ' HD11 ' A' 1159 ' ' LEU . 25.5 t70 -60.21 -48.94 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.973 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.6 mptt -71.52 -30.95 66.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1166 ' ' ILE . . . -66.59 -34.7 78.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.227 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' 1167 ' ' GLU . 50.1 m -63.24 -52.09 63.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.321 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1164 ' ' SER . . . . . 0.639 ' O ' ' HG2' ' A' 1168 ' ' GLU . 8.3 m -61.07 -38.29 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.262 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.812 ' HG ' HG11 ' A' 1188 ' ' VAL . 0.9 OUTLIER -54.56 -52.27 62.61 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 175.134 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' 1050 ' ' MET . 83.8 mt -60.99 -46.06 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.038 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' 1163 ' ' SER . 40.7 mt-10 -56.73 -59.07 5.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.36 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.667 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 13.6 pt-20 -72.87 -23.88 60.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.48 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.65 93.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.384 . . . . 0.0 110.276 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -63.15 -37.41 87.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.108 0.48 . . . . 0.0 109.996 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.667 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 57.3 mtmt -69.22 -38.9 78.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.173 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -70.9 -17.93 62.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.1 m -68.12 -27.02 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 109.741 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -84.64 -41.4 7.78 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.44 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 16.2 p80 -123.69 80.04 55.61 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.519 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.81 -29.99 14.82 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.655 2.237 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -88.94 58.03 4.02 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.878 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -132.08 120.61 17.33 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.27 -39.98 85.81 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.227 2.618 . . . . 0.0 112.885 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.51 -38.57 65.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 0.0 110.815 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1181 ' ' SER . . . . . 0.517 ' O ' ' HG ' ' A' 1185 ' ' LEU . 32.2 m -62.8 -49.73 73.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.3 -35.71 81.73 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.508 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' 1183 ' ' GLN . 0.0 OUTLIER -58.8 -50.3 74.47 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.238 0.542 . . . . 0.0 110.633 174.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.455 ' HB3' ' OE1' ' A' 1168 ' ' GLU . 13.7 mtp180 -68.16 -43.22 78.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.919 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' 1181 ' ' SER . 85.6 mt -53.05 -42.23 65.58 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.05 0.453 . . . . 0.0 111.124 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.68 84.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.97 -38.63 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.65 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.812 HG11 ' HG ' ' A' 1165 ' ' LEU . 11.9 p -71.82 -32.01 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.491 ' HA ' HD12 ' A' 1165 ' ' LEU . . . -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.425 0.631 . . . . 0.0 109.892 174.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.472 ' O ' ' HB ' ' A' 1193 ' ' THR . 43.9 mmtm -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.969 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.75 90.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.338 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 21.7 t -65.88 -38.24 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.301 0.572 . . . . 0.0 109.73 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1193 ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' 1190 ' ' LYS . 71.9 m -53.0 -49.1 66.89 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.465 177.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -76.03 -36.57 59.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.374 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.1 88.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.826 ' HB3' HG23 ' A' 1095 ' ' THR . 66.7 mt -57.82 -52.48 65.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.245 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -62.48 -38.21 88.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.692 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1198 ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' 1198 ' ' ARG . 37.1 ttm180 -66.84 -31.02 71.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.854 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -50.07 31.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -67.16 -22.08 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.737 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 33.1 t -75.64 -27.81 58.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.1 0.476 . . . . 0.0 110.55 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1202 ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' 1150 ' ' ILE . 79.7 m -84.91 -1.66 56.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.65 HD13 HD21 ' A' 1091 ' ' LEU . 91.2 mt -67.77 130.1 93.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.11 109.19 0.46 Allowed 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.684 2.256 . . . . 0.0 112.144 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -84.69 -27.0 36.45 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -89.79 114.61 26.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.261 -179.342 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.165 -0.374 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 12.8 tt -128.67 -31.95 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.726 0.298 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.865 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 30.5 t70 -70.34 -55.77 7.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.262 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.865 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 36.3 Cg_endo -95.51 106.68 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 122.452 2.101 . . . . 0.0 110.895 170.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 39.5 t80 -86.23 73.87 10.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.099 0.952 . . . . 0.0 109.595 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 1.6 t -152.22 88.02 1.36 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.146 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -126.97 94.82 0.42 Allowed Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.518 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.68 155.22 43.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.901 2.401 . . . . 0.0 112.085 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.79 96.5 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -52.63 -47.05 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.531 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.828 ' HE1' ' HB3' ' A' 1117 ' ' ALA . 51.3 mtt -72.03 -40.93 68.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.613 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -44.7 92.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.711 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1052 ' ' SER . . . . . 0.492 ' O ' HG21 ' A' 1056 ' ' VAL . 49.2 m -71.67 -33.41 68.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.173 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.32 87.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.078 0.466 . . . . 0.0 110.199 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.541 ' HA ' HG13 ' A' 1057 ' ' VAL . 55.8 tp -64.61 -41.14 96.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.283 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 74.4 m -59.24 -42.37 90.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.429 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' 1052 ' ' SER . 97.5 t -60.66 -54.22 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.834 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' 1054 ' ' LEU . 9.9 p -64.78 -34.67 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.389 -175.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' 1062 ' ' LYS . 84.3 mt-30 -70.58 -28.14 64.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 111.55 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1059 ' ' ASN . . . . . 0.748 ' HA ' ' HE3' ' A' 1062 ' ' LYS . 22.5 m-80 -76.41 -36.61 57.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 173.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.7 mt -62.05 -45.77 92.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.217 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.796 ' HB3' HD11 ' A' 1159 ' ' LEU . 8.0 pt-20 -62.85 -31.59 72.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.217 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' 1059 ' ' ASN . 9.0 mtmp? -62.1 -52.65 63.03 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' 1067 ' ' ILE . 1.5 m-20 -58.36 -46.75 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.538 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.721 HD22 ' HB1' ' A' 1132 ' ' ALA . 5.0 mt -61.99 -39.43 92.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.335 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.24 -40.85 98.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1066 ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' 1062 ' ' LYS . 43.1 mt-10 -62.87 -41.52 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.417 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.762 HG22 ' HG3' ' A' 1136 ' ' ARG . 77.8 mt -67.67 -36.94 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.891 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.98 -46.32 91.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.23 83.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.433 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.1 -50.03 73.55 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.808 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -60.64 -45.25 94.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.76 -44.8 96.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.926 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.31 -22.58 57.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.07 30.33 8.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.069 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -115.73 15.66 16.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.91 0.386 . . . . 0.0 110.456 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.511 ' O ' ' HD3' ' A' 1078 ' ' PRO . 42.4 tp -71.12 146.45 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -74.9 107.32 3.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 123.084 0.24 . . . . 0.0 110.355 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.511 ' HD3' ' O ' ' A' 1076 ' ' LEU . 79.0 Cg_endo -87.75 12.02 3.0 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.743 2.296 . . . . 0.0 112.907 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.473 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 7.7 mp -71.05 114.72 29.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.291 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 1.1 Cg_endo -82.95 115.48 2.38 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.957 2.438 . . . . 0.0 112.147 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -101.06 -88.21 2.01 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 172.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -79.07 155.19 28.9 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.6 p -74.25 168.59 19.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.574 0.226 . . . . 0.0 110.675 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.17 -30.61 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.97 -36.43 74.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.607 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -69.05 -45.33 70.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.188 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 69.7 m -66.51 -38.43 87.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.763 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1088 ' ' THR . . . . . 0.486 HG21 HD12 ' A' 1203 ' ' LEU . 30.7 p -67.65 -39.94 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.517 . . . . 0.0 110.45 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.52 -48.89 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.96 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.49 -36.62 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.524 HD23 HD21 ' A' 1203 ' ' LEU . 17.7 tp -60.86 -54.0 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.307 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.56 95.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.177 -0.535 . . . . 0.0 112.669 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1093 ' ' ASN . . . . . 0.45 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 30.4 m-80 -65.58 -45.13 84.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.0 m -65.06 -30.69 71.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.754 0.311 . . . . 0.0 110.642 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.832 HG21 ' HB3' ' A' 1196 ' ' LEU . 77.0 m -60.1 -55.91 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.809 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 64.6 pttt -67.83 -32.9 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -54.37 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.536 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' 1124 ' ' VAL . 8.7 p -73.48 -23.05 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.7 t -67.05 -34.5 77.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.303 0.573 . . . . 0.0 109.84 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 42.9 m -74.16 -25.22 59.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 110.0 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.449 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -72.44 -49.31 34.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.817 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.9 pt -64.43 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 120.752 0.311 . . . . 0.0 110.581 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.18 95.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 53.3 mttp -75.66 -38.2 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.622 HD11 ' HE3' ' A' 1050 ' ' MET . 19.2 tp -66.16 -28.34 68.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.541 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' 1185 ' ' LEU . 36.0 tp -66.59 103.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.845 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 116.79 -46.0 1.21 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.563 -0.827 . . . . 0.0 114.245 168.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 55.84 76.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.94 -178.8 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -173.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 64.78 174.57 0.2 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.797 0.686 . . . . 0.0 111.777 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -84.86 118.58 24.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 107.42 23.29 7.0 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 3.9 p30 -64.19 -29.92 71.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.784 -0.208 . . . . 0.0 110.806 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.38 -31.31 70.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.294 0.569 . . . . 0.0 110.498 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -76.23 -53.33 8.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.078 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -61.02 -39.53 90.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.551 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.828 ' HB3' ' HE1' ' A' 1050 ' ' MET . . . -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.1 -49.92 19.69 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.7 -45.74 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.67 0.271 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.9 -41.82 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.684 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -67.4 -33.04 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.228 0.537 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -71.72 -33.13 68.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.213 0.53 . . . . 0.0 109.976 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1123 ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 29.6 t70 -78.26 -38.54 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.669 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.4 m -59.29 -38.32 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.434 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -61.07 -38.73 87.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.349 . . . . 0.0 110.77 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -74.47 -42.08 34.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.35 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1127 ' ' GLY . . . . . 0.463 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -62.35 -40.08 98.58 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.493 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' 1124 ' ' VAL . 82.6 mt -68.31 -29.81 68.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.623 0.249 . . . . 0.0 110.955 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1125 ' ' ALA . 63.0 mtt180 -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.2 0.524 . . . . 0.0 110.183 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 21.5 m -56.69 -41.5 77.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.392 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.445 HD22 HD13 ' A' 1091 ' ' LEU . 1.9 tm? -57.7 -49.17 77.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.721 ' HB1' HD22 ' A' 1064 ' ' LEU . . . -62.72 -42.88 99.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.421 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1129 ' ' ARG . 96.8 mt-30 -61.89 -44.28 97.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.311 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1138 ' ' VAL . . . -63.57 -47.43 81.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.762 ' HG3' HG22 ' A' 1067 ' ' ILE . 4.6 mpt_? -66.51 -36.23 82.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.52 -41.27 96.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.881 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1138 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1134 ' ' ALA . 77.1 t -55.95 -45.91 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 0.0 111.351 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.54 90.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.8 69.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.98 0.419 . . . . 0.0 110.933 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.89 -37.74 84.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.05 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.47 HG22 HG23 ' A' 1147 ' ' VAL . 14.0 t -68.82 -38.34 79.8 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.438 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.6 m 61.27 13.24 4.72 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' 1148 ' ' GLN . 23.5 m-20 -94.39 116.78 66.8 Favored Pre-proline 0 C--O 1.233 0.215 0 O-C-N 122.167 -0.333 . . . . 0.0 110.201 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 8.6 Cg_exo -72.13 68.48 3.27 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 123.306 2.671 . . . . 0.0 112.298 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.37 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.141 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' 1151 ' ' VAL . 21.5 m -72.73 -22.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.153 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.701 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.75 -52.61 63.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.892 0.377 . . . . 0.0 110.204 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.8 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -44.84 40.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.766 -175.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' 1147 ' ' VAL . 4.0 p -68.64 -31.27 50.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.459 0.647 . . . . 0.0 110.899 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' 1148 ' ' GLN . 30.7 mt -78.23 -40.41 37.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.235 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -50.64 67.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.378 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' 1198 ' ' ARG . 21.4 p -60.28 -48.58 81.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.531 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.31 70.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 111.366 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 10.8 t -80.38 -25.96 38.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.048 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.562 ' OD1' ' HE2' ' A' 1161 ' ' LYS . 37.9 t70 -71.83 -32.74 67.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' 1154 ' ' THR . 83.9 t -56.81 -60.58 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.898 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' 1061 ' ' GLU . 3.0 pp -66.09 -29.21 69.49 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.679 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.599 ' N ' HD13 ' A' 1159 ' ' LEU . 27.1 t70 -50.8 -53.12 34.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.021 0.439 . . . . 0.0 110.876 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.562 ' HE2' ' OD1' ' A' 1157 ' ' ASP . 3.2 mptp? -77.25 -29.01 53.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.369 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' 1159 ' ' LEU . . . -63.64 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.574 0.226 . . . . 0.0 111.085 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' HG3' ' A' 1167 ' ' GLU . 39.3 m -58.22 -47.01 84.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 17.3 m -69.24 -28.83 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.878 ' HG ' HG11 ' A' 1188 ' ' VAL . 2.7 tt -62.67 -46.73 86.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' 1162 ' ' ALA . 70.4 mt -67.76 -41.2 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.81 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' 1163 ' ' SER . 51.5 mt-10 -61.45 -49.21 77.72 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.522 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' 1185 ' ' LEU . 25.1 tp10 -58.17 -45.72 87.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.81 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1169 ' ' ALA . . . . . 0.451 ' HA ' HD23 ' A' 1185 ' ' LEU . . . -64.35 -47.05 80.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.147 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.43 -34.63 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.433 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -74.49 -37.63 63.1 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.317 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.764 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -60.72 -34.97 75.2 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.987 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 6.1 m -61.13 -22.32 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.868 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -100.49 14.46 59.31 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.512 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.764 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 60.3 m-70 -95.59 147.34 32.85 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -80.08 -1.7 11.56 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.645 2.23 . . . . 0.0 112.443 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 130.64 64.81 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.64 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.01 123.9 51.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.623 0.249 . . . . 0.0 110.678 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.476 ' O ' ' HG3' ' A' 1183 ' ' GLN . 30.1 Cg_endo -64.98 -28.38 57.85 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.322 2.014 . . . . 0.0 111.103 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.457 ' HA ' ' OE1' ' A' 1183 ' ' GLN . 39.1 mt-10 -66.96 -29.79 69.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.984 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 57.9 m -64.24 -43.83 93.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.384 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.97 -23.61 59.51 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' 1187 ' ' GLN . 93.4 mt-30 -70.94 -54.17 12.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -55.21 -45.41 75.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.127 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.547 ' HB3' HD13 ' A' 1106 ' ' LEU . 0.8 OUTLIER -54.17 -44.67 71.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 177.195 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.52 80.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' 1183 ' ' GLN . 86.3 mt-30 -61.09 -49.64 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.878 HG11 ' HG ' ' A' 1165 ' ' LEU . 12.0 p -72.05 -33.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' 1165 ' ' LEU . . . -62.84 -44.4 96.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.238 0.542 . . . . 0.0 110.018 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.492 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.95 88.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.5 HG23 HD13 ' A' 1165 ' ' LEU . 95.6 t -61.28 -38.82 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.0 110.31 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 28.6 m -59.93 -42.51 94.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.713 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.07 -33.26 67.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.276 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.27 90.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.832 0.348 . . . . 0.0 110.081 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.832 ' HB3' HG21 ' A' 1095 ' ' THR . 80.7 mt -59.45 -44.4 92.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.776 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.58 -37.73 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.819 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1198 ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' 1154 ' ' THR . 20.9 ttp180 -70.7 -25.09 62.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1199 ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' 1154 ' ' THR . 72.6 m -71.49 -49.38 41.78 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 109.892 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -71.84 -23.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.807 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 8.9 t -78.42 -32.42 48.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -83.76 -2.4 56.21 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.524 0.202 . . . . 0.0 111.534 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.524 HD21 HD23 ' A' 1091 ' ' LEU . 76.2 mt -57.84 124.82 70.98 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.619 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.37 164.62 33.64 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.931 2.421 . . . . 0.0 112.268 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . 175.58 42.62 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.516 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 23.3 tm0? 58.53 82.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 0.0 110.195 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.594 179.451 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 5.8 tp -99.44 91.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.03 0.919 . . . . 0.0 110.681 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.894 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 36.6 t70 -148.12 -57.77 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.109 176.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.894 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 22.2 Cg_endo -93.86 173.76 1.61 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.703 2.269 . . . . 0.0 110.713 170.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 39.9 p90 -88.64 17.24 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.221 0.534 . . . . 0.0 110.951 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -2.94 56.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.196 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -90.63 -69.75 1.21 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.657 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.7 147.78 92.46 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.706 2.271 . . . . 0.0 112.485 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.21 93.22 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.23 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.509 ' HG2' ' HB3' ' A' 1121 ' ' ALA . 60.3 mtt -56.66 -40.55 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.9 175.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.06 -41.87 77.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -36.5 74.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' 1056 ' ' VAL . . . -66.46 -40.82 89.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 0.0 110.192 174.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' 1166 ' ' ILE . 51.0 tp -59.78 -33.88 72.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.672 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -61.93 -41.9 98.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.541 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' 1053 ' ' ALA . 6.1 m -72.38 -24.7 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -41.1 71.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.295 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.64 -28.58 69.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.414 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -76.36 -34.35 58.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 110.471 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' 1129 ' ' ARG . 96.2 mt -67.66 -44.77 77.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.652 ' HB3' HD13 ' A' 1159 ' ' LEU . 10.4 pt-20 -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.99 -39.98 90.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.853 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' 1067 ' ' ILE . 31.2 m-20 -61.72 -46.62 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.462 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.691 HD11 HD21 ' A' 1159 ' ' LEU . 56.4 mt -65.78 -34.19 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.425 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1061 ' ' GLU . 22.7 mt-30 -62.61 -38.33 89.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.422 . . . . 0.0 110.756 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.22 -43.15 67.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' 1063 ' ' ASP . 82.5 mt -65.0 -33.3 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.425 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' 1153 ' ' ASP . 23.8 tptm -57.72 -48.51 79.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.455 177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.58 94.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -74.48 -27.79 60.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -66.48 -43.02 86.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.904 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.27 -36.16 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 109.9 11.76 19.99 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.939 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -79.68 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.4 mt 57.96 -174.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.208 -0.905 . . . . 0.0 113.114 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -127.6 117.01 21.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.885 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.571 ' O ' ' HD3' ' A' 1080 ' ' PRO . 58.3 Cg_endo -74.34 32.7 0.35 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.785 2.324 . . . . 0.0 114.026 -174.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.56 90.28 4.84 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.703 ' HA ' ' HA2' ' A' 1137 ' ' GLY . 73.5 Cg_endo -97.59 -172.21 0.16 Allowed 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 123.472 2.781 . . . . 0.0 113.429 -174.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -109.32 69.66 0.21 Allowed Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.517 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.61 -150.15 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.614 0.366 . . . . 0.0 110.361 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1083 ' ' THR . . . . . 0.547 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 1.2 p -71.22 150.62 45.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.633 0.254 . . . . 0.0 111.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.567 ' HB3' ' HD2' ' A' 1207 ' ' ARG . 47.2 ttm -56.4 -37.85 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.227 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.547 ' OE1' ' HB ' ' A' 1083 ' ' THR . 9.6 pm0 -62.62 -35.13 78.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.661 0.267 . . . . 0.0 110.715 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.13 -40.06 28.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.95 -40.03 96.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.644 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 19.5 p -72.42 -28.75 63.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 110.613 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.24 -47.51 61.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.61 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.04 -27.46 67.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.338 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.755 ' HG ' HD13 ' A' 1203 ' ' LEU . 0.9 OUTLIER -57.6 -52.91 63.49 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.033 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.482 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.99 -40.59 99.49 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.447 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -60.8 -46.66 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.656 0.265 . . . . 0.0 110.787 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 16.9 m -63.26 -37.36 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 110.181 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1095 ' ' THR . . . . . 1.0 HG22 ' HB3' ' A' 1196 ' ' LEU . 55.4 m -55.61 -53.56 55.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.789 175.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' 1092 ' ' GLY . 51.0 mtmt -66.34 -34.55 78.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.964 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.17 -55.26 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.58 HG22 HD21 ' A' 1128 ' ' LEU . 10.9 p -72.16 -24.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.617 -178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 42.6 t -63.87 -40.61 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 110.32 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1100 ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' 1104 ' ' LYS . 25.1 m -73.82 -25.71 60.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.135 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -75.02 -46.56 34.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.546 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.5 pt -64.7 -27.32 42.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.794 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.3 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.83 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' 1100 ' ' SER . 94.2 mttt -70.77 -32.75 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.524 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.38 -25.53 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.473 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.06 105.02 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.86 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 143.37 130.16 2.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.031 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.19 -21.51 36.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 40.0 mt 62.01 -96.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.765 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 176.34 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.148 0.499 . . . . 0.0 110.244 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.65 123.96 32.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 55.13 43.49 83.59 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.507 -0.769 . . . . 0.0 114.105 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -66.33 -28.4 68.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.296 0.548 . . . . 0.0 109.813 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.63 -23.12 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.155 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -80.4 -49.05 11.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 6.3 t80 -63.15 -44.59 95.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.4 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.476 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -59.35 -35.82 74.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.043 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.76 96.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.956 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.42 -37.87 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.19 70.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.323 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.509 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -64.86 -30.12 71.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.266 0.555 . . . . 0.0 110.831 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -75.37 -30.11 60.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.34 0.59 . . . . 0.0 109.985 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.09 -41.58 49.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.599 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.745 ' O ' ' HG ' ' A' 1128 ' ' LEU . 30.7 m -62.1 -42.95 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.765 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -59.85 -38.84 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.065 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.16 -43.45 98.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.999 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.15 -36.25 92.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.024 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' 1124 ' ' VAL . 42.5 mt -71.13 -36.75 72.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.551 ' HG2' HD11 ' A' 1060 ' ' LEU . 42.2 mtm180 -60.62 -53.34 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 0.0 110.491 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -60.56 -36.55 78.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.217 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -53.13 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1132 ' ' ALA . . . . . . . . . . . . . . . -58.22 -38.48 76.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.702 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.62 -46.23 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.85 66.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.61 -54.93 32.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1136 ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -68.17 -23.95 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.703 ' HA2' ' HA ' ' A' 1080 ' ' PRO . . . -65.01 -48.28 72.8 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.5 174.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.6 -44.24 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.567 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.76 98.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.476 -179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -68.98 -26.91 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.45 -39.3 38.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.557 HG21 HG22 ' A' 1147 ' ' VAL . 6.7 t -73.47 -43.97 59.02 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.435 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 16.6 t 57.28 29.94 17.62 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.296 0.57 . . . . 0.0 110.49 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' 1148 ' ' GLN . 19.1 t70 -109.48 113.7 57.96 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.41 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.17 68.24 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 0.0 112.954 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.03 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.717 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.557 HG22 HG21 ' A' 1142 ' ' THR . 21.7 m -80.37 -22.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.589 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.637 ' HB3' ' HB1' ' A' 1071 ' ' ALA . 28.1 mt-30 -53.78 -56.15 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.19 0.519 . . . . 0.0 110.675 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.81 71.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.51 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.3 OUTLIER -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 -174.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.81 -34.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.086 0.47 . . . . 0.0 110.992 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.5 mt -77.4 -41.33 40.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.222 0.534 . . . . 0.0 110.48 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1153 ' ' ASP . . . . . 0.524 ' HB2' ' HE3' ' A' 1068 ' ' LYS . 15.6 t70 -55.9 -45.73 78.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.04 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.471 ' O ' HG22 ' A' 1158 ' ' VAL . 17.6 p -69.08 -42.93 75.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 28.0 t -68.94 -27.37 65.69 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.369 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.7 -35.2 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' 1154 ' ' THR . 94.6 t -55.01 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.902 177.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.691 HD21 HD11 ' A' 1064 ' ' LEU . 3.3 pp -67.44 -29.22 68.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.273 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.57 ' N ' HD12 ' A' 1159 ' ' LEU . 28.2 t70 -55.8 -50.55 70.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.6 mptt -72.75 -33.44 66.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.367 178.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' 1159 ' ' LEU . . . -64.44 -30.2 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 41.2 m -62.02 -52.05 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.005 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 15.7 m -65.92 -30.95 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.518 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.614 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.2 tt -59.11 -52.37 66.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.539 ' HB ' HD12 ' A' 1054 ' ' LEU . 67.5 mt -67.07 -42.45 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.229 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.47 -44.3 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.87 -37.32 86.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.138 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.07 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.181 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.42 -35.59 77.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.173 0.511 . . . . 0.0 110.11 175.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.18 -40.73 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.846 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -59.82 -34.37 72.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.215 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 51.1 m -66.69 -16.05 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.617 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.03 2.71 64.02 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.903 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.846 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 97.0 m-70 -101.02 121.35 52.52 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 4.5 Cg_exo -80.52 26.86 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.365 2.71 . . . . 0.0 112.51 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 121.12 74.35 0.36 Allowed Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.82 126.2 28.65 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.537 0.208 . . . . 0.0 110.733 -176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.509 ' O ' ' HG3' ' A' 1183 ' ' GLN . 35.0 Cg_endo -65.7 -46.24 5.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.942 2.428 . . . . 0.0 113.095 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' 1184 ' ' ARG . 44.3 mt-10 -71.81 -39.97 69.48 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.127 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 24.8 t -58.57 -46.18 87.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.112 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -70.38 -23.28 62.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.209 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' 1179 ' ' PRO . 26.2 mt-30 -77.71 -33.63 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' 1180 ' ' GLU . 26.0 mmm180 -65.44 -44.31 87.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.882 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.18 -46.13 75.81 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.984 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.63 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.215 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.02 -47.28 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.614 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -70.24 -33.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.054 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -65.86 -48.38 71.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -69.59 -22.12 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.709 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -66.28 -33.41 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 109.776 173.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.432 HG21 HD11 ' A' 1165 ' ' LEU . 46.2 t -69.21 -43.05 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.373 174.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1193 ' ' THR . . . . . 0.435 ' HA ' HD13 ' A' 1196 ' ' LEU . 12.9 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.978 176.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1194 ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' 1190 ' ' LYS . 82.7 mm-40 -62.66 -43.47 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.907 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.41 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.636 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 1.0 ' HB3' HG22 ' A' 1095 ' ' THR . 78.0 mt -58.44 -52.53 65.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.186 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 11.3 t30 -67.37 -33.48 75.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.114 0.483 . . . . 0.0 110.408 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -64.9 -30.49 71.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1199 ' ' CYS . . . . . 0.588 ' O ' ' HG ' ' A' 1203 ' ' LEU . 18.2 t -73.49 -50.24 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.608 HG11 HD11 ' A' 1091 ' ' LEU . 30.1 m -68.43 -21.97 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 40.8 t -70.17 -45.27 67.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.461 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 28.7 p -77.2 -17.89 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.227 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.755 HD13 ' HG ' ' A' 1091 ' ' LEU . 52.3 mt -60.8 123.33 74.29 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.3 104.26 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -85.5 34.91 3.23 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -144.65 111.77 5.94 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.567 ' HD2' ' HB3' ' A' 1084 ' ' MET . 74.9 mtp180 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.83 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.31 81.52 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 122.183 0.992 . . . . 0.0 110.37 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.7 ' H ' ' HD2' ' A' 1043 ' ' PRO . 28.3 t70 -131.15 -50.3 0.03 OUTLIER Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.414 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.7 ' HD2' ' H ' ' A' 1042 ' ' ASP . 51.9 Cg_endo -72.41 107.73 2.35 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.516 1.478 . . . . 0.0 111.117 170.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -89.47 7.53 35.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.664 0.745 . . . . 0.0 110.407 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 41.0 p -90.99 -12.46 35.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.952 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 164.77 85.0 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.626 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.3 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.598 2.199 . . . . 0.0 111.745 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.0 mp 57.66 49.09 12.98 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.231 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.402 ' HA ' ' OG ' ' A' 1052 ' ' SER . 8.2 tp10 -60.81 -30.38 70.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 -176.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 47.3 mtt -66.69 -38.21 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.188 0.518 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.96 -39.53 72.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1052 ' ' SER . . . . . 0.402 ' OG ' ' HA ' ' A' 1049 ' ' GLU . 3.1 p -71.07 -38.56 72.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.728 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.1 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.518 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.02 -38.05 87.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 32.6 t -63.34 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.921 0.391 . . . . 0.0 110.003 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' 1060 ' ' LEU . 76.1 t -62.46 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 46.8 t -64.5 -37.77 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.843 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.422 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 46.5 mt-30 -63.6 -28.12 69.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.161 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -75.59 -39.33 58.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.945 0.402 . . . . 0.0 110.231 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.735 HD23 ' HG2' ' A' 1129 ' ' ARG . 95.9 mt -62.75 -48.56 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.182 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.427 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.2 pt-20 -59.96 -35.64 75.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.725 ' HZ1' ' HB3' ' A' 1062 ' ' LYS . 9.2 mtpm? -69.89 -45.79 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.091 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.586 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.25 -48.21 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' 1132 ' ' ALA . 12.5 mt -62.08 -35.55 78.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.872 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.95 -36.95 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 0.0 110.692 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.35 -31.06 62.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' 1063 ' ' ASP . 37.8 mt -72.43 -24.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.012 174.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' 1064 ' ' LEU . 58.1 mtpt -67.84 -39.94 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.907 0.384 . . . . 0.0 110.116 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.85 92.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.839 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.85 77.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.463 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.73 74.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.102 0.477 . . . . 0.0 111.102 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.503 ' HD3' ' O ' ' A' 1072 ' ' ARG . 13.2 tpp180 -64.1 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.116 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -30.32 69.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.785 0.326 . . . . 0.0 111.44 -173.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.01 14.16 10.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.47 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -104.62 18.55 22.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.901 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' 1140 ' ' ALA . 0.5 OUTLIER -62.01 121.47 13.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 70.3 mmtt -67.72 110.1 4.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.423 -177.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.595 ' HA ' ' HB2' ' A' 1140 ' ' ALA . 4.7 Cg_exo -75.37 -45.69 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.288 2.658 . . . . 0.0 111.339 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 45.6 mt 66.58 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.561 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -0.94 11.14 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.014 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.69 77.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.557 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -139.83 149.96 44.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.637 0.256 . . . . 0.0 110.54 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 1.6 p -106.48 -179.57 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.361 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.602 ' HA ' HD12 ' A' 1141 ' ' LEU . 44.5 ttm -68.93 -41.21 78.41 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -22.28 66.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 -176.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.7 -54.9 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.849 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 72.1 m -66.61 -41.79 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.935 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.8 p -65.89 -39.81 90.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -72.17 -40.06 68.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.64 -34.03 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.026 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.541 HD11 HD22 ' A' 1131 ' ' LEU . 20.6 tp -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.82 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.11 -43.7 95.22 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.189 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -61.05 -43.52 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.868 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.585 ' O ' HG23 ' A' 1098 ' ' VAL . 19.5 m -61.5 -45.3 94.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.208 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1095 ' ' THR . . . . . 1.018 HG21 ' HB3' ' A' 1196 ' ' LEU . 52.9 m -51.6 -56.06 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -55.62 -42.55 75.08 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.342 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 1094 ' ' SER . 21.8 t -68.45 -37.41 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.542 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.8 m -59.56 -41.24 89.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -70.53 -39.29 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 110.154 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.625 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -66.84 -47.8 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.939 -176.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.9 pt -63.79 -26.11 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.543 0.211 . . . . 0.0 111.316 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.7 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.127 0.489 . . . . 0.0 110.659 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 47.9 pttt -70.46 -24.04 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.08 -41.94 70.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 67.2 tp -67.86 -37.09 81.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.372 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 82.15 -71.35 2.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.37 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -172.9 -70.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 12.9 tt -153.05 -31.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -78.42 158.24 28.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.983 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.81 118.15 23.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -66.12 152.88 51.99 Favored Glycine 0 CA--C 1.518 0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.135 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1113 ' ' ASN . . . . . 0.415 ' HA ' ' HB3' ' A' 1117 ' ' ALA . 21.6 t-20 -153.42 -39.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.306 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.5 92.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.289 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 19.8 m120 68.16 -62.14 0.37 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.874 0.869 . . . . 0.0 112.854 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1116 ' ' TYR . . . . . 0.598 ' HD2' ' HB2' ' A' 1104 ' ' LYS . 26.0 m-85 -56.53 -27.93 58.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' 1113 ' ' ASN . . . -55.97 -46.93 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.28 -42.62 10.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.715 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.2 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.342 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1120 ' ' ALA . . . . . 0.5 ' HB2' ' HG3' ' A' 1104 ' ' LYS . . . -69.54 -39.2 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.632 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.06 86.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.198 0.523 . . . . 0.0 110.565 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1122 ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' 1122 ' ' ARG . 21.1 ttt180 -75.86 -27.29 57.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.181 0.515 . . . . 0.0 110.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.4 -44.05 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' 1128 ' ' LEU . 11.7 m -63.58 -45.28 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.341 174.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.91 -44.12 73.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.683 0.277 . . . . 0.0 111.33 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.13 32.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -63.99 -35.83 92.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.813 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1124 ' ' VAL . 94.5 mt -69.05 -25.39 64.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.899 -0.177 . . . . 0.0 111.199 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.735 ' HG2' HD23 ' A' 1060 ' ' LEU . 20.7 mtm180 -64.93 -48.75 73.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.564 175.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 24.3 m -62.85 -42.1 99.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.316 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.541 HD22 HD11 ' A' 1091 ' ' LEU . 2.1 tm? -56.2 -51.9 66.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 178.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.874 ' HB3' HD22 ' A' 1064 ' ' LEU . . . -59.11 -51.62 69.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.726 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.45 -41.63 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.588 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.65 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.003 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.232 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1132 ' ' ALA . 12.4 mmm180 -67.83 -37.75 82.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.239 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.437 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -44.02 97.38 Favored Glycine 0 C--O 1.227 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.14 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.0 t -54.99 -45.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.67 0.271 . . . . 0.0 111.288 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.43 -28.0 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.449 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' 1078 ' ' PRO . . . -77.21 -44.44 30.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' 1084 ' ' MET . 40.6 mt -64.4 -32.55 74.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.653 -176.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.0 t -84.91 152.76 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 40.5 m -116.33 12.23 15.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.228 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 39.3 m-20 -89.97 107.52 19.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.135 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.8 Cg_exo -75.15 68.62 5.84 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.212 2.608 . . . . 0.0 112.556 -175.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -166.48 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.355 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1147 ' ' VAL . . . . . . . . . . . . . 35.1 m -69.62 -22.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.718 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.698 ' O ' ' HG ' ' A' 1152 ' ' LEU . 27.0 mt-30 -58.2 -47.82 82.27 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.707 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.83 65.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.792 0.329 . . . . 0.0 110.606 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.543 HG22 ' HB2' ' A' 1202 ' ' CYS . 0.4 OUTLIER -69.66 -40.03 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.589 -174.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.46 ' HA ' ' SG ' ' A' 1202 ' ' CYS . 2.7 p -70.39 -31.28 46.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.326 0.584 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' 1148 ' ' GLN . 25.9 mt -78.06 -40.55 38.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.88 -45.76 82.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.391 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' 1198 ' ' ARG . 33.9 p -67.77 -39.78 84.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.154 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.21 94.48 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.468 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.5 t -63.38 -33.45 75.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.103 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.409 ' O ' ' HD2' ' A' 1161 ' ' LYS . 35.8 t70 -72.08 -37.17 69.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.194 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' 1154 ' ' THR . 67.1 t -59.12 -56.31 17.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.433 HD21 HD13 ' A' 1064 ' ' LEU . 4.7 pp -62.9 -31.46 72.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.854 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' 1159 ' ' LEU . 12.7 t70 -53.55 -53.48 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.816 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.473 ' HG2' ' HB1' ' A' 1191 ' ' ALA . 7.9 mttp -77.52 -34.28 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.409 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.92 76.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.601 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' 1167 ' ' GLU . 19.8 m -64.93 -49.84 68.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.089 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1164 ' ' SER . . . . . 0.472 ' HB2' HG22 ' A' 1188 ' ' VAL . 14.8 m -58.25 -34.71 70.76 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.407 ' HA ' HG11 ' A' 1188 ' ' VAL . 61.9 tp -60.99 -51.73 68.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 0.0 110.704 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.92 -38.94 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.3 mt-10 -62.91 -44.41 96.16 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.057 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.419 ' CD ' ' HZ3' ' A' 1171 ' ' LYS . 14.5 tp10 -59.53 -44.63 93.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.327 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.89 76.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.08 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.43 -44.45 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.459 ' HZ2' ' HB2' ' A' 1171 ' ' LYS . 9.6 mtmp? -70.75 -39.83 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.58 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.96 76.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 29.9 m -77.01 -10.14 59.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.714 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -101.99 -5.54 50.14 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.595 176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.478 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 27.7 m170 -100.85 123.28 46.04 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 5.2 Cg_exo -78.22 37.48 0.64 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.587 2.858 . . . . 0.0 112.442 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 111.48 94.51 2.23 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -138.74 134.05 16.98 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.638 0.256 . . . . 0.0 110.681 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.85 -37.97 90.97 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.168 2.579 . . . . 0.0 113.191 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' 1184 ' ' ARG . 12.4 mm-40 -70.67 -44.42 67.06 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.275 -0.17 . . . . 0.0 111.273 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1181 ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' 1185 ' ' LEU . 46.9 m -50.82 -49.48 58.55 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.257 0.348 . . . . 0.0 111.68 -177.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -70.83 -34.52 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.985 -177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -79.76 -38.59 32.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 0.0 111.089 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 1180 ' ' GLU . 19.4 mmt180 -61.67 -42.69 99.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.464 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' 1181 ' ' SER . 95.9 mt -55.27 -46.41 76.15 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.516 0.51 . . . . 0.0 110.762 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.29 80.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.286 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.98 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' 1164 ' ' SER . 8.8 p -70.96 -26.53 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.53 99.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.958 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' 1193 ' ' THR . 34.2 mmtp -71.57 -29.19 64.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.332 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1191 ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -63.55 -46.23 86.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.647 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.498 ' O ' HD13 ' A' 1196 ' ' LEU . 60.2 t -62.06 -44.21 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1193 ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' 1190 ' ' LYS . 53.7 m -47.54 -47.13 28.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.456 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -78.41 -26.08 46.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.065 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.0 55.03 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 1.018 ' HB3' HG21 ' A' 1095 ' ' THR . 0.3 OUTLIER -52.34 -52.61 52.3 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.91 172.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.451 ' C ' HD21 ' A' 1197 ' ' ASN . 0.2 OUTLIER -66.42 -34.79 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.9 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1198 ' ' ARG . . . . . 0.445 ' HG2' HG23 ' A' 1154 ' ' THR . 39.4 ttm180 -65.27 -32.15 73.66 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.128 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.2 t -74.35 -47.39 34.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.265 0.555 . . . . 0.0 109.886 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 27.5 m -67.32 -27.15 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.06 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.3 t -77.7 -23.93 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.391 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1202 ' ' CYS . . . . . 0.543 ' HB2' HG22 ' A' 1150 ' ' ILE . 14.8 p -85.81 -4.78 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.656 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.483 HD12 HD22 ' A' 1091 ' ' LEU . 96.2 mt -62.95 137.99 97.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.846 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.72 111.28 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.82 2.347 . . . . 0.0 112.214 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -100.27 48.71 1.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -89.17 121.24 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.39 0.614 . . . . 0.0 110.806 -177.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.535 ' NE ' ' HA ' ' A' 1207 ' ' ARG . 3.3 mmp_? . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.118 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1041 ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' 1113 ' ' ASN . 8.7 tp -104.08 -33.38 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.702 0.286 . . . . 0.0 110.577 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.3 102.99 4.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 111.156 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.75 137.7 2.88 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.099 2.532 . . . . 0.0 111.588 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 45.6 p90 -96.06 18.39 13.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 110.538 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 17.5 p -93.34 -2.6 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.748 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 86.3 106.46 0.77 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.82 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1047 ' ' PRO . . . . . 0.556 ' HG2' ' CB ' ' A' 1117 ' ' ALA . 66.7 Cg_exo -54.87 137.51 75.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.299 2.666 . . . . 0.0 112.684 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.27 -13.96 62.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.635 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -66.98 -29.93 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.674 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.79 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 40.0 mtt -63.59 -37.03 85.78 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.094 174.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.93 -43.14 99.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 15.3 m -69.06 -43.29 74.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.947 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.11 77.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.819 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.58 HD23 ' HB ' ' A' 1166 ' ' ILE . 2.4 tm? -59.49 -45.9 90.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.045 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 63.8 m -58.62 -36.1 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.8 t -64.18 -44.71 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.379 . . . . 0.0 110.04 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.7 t -61.9 -39.6 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.267 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1062 ' ' LYS . 77.0 mm-40 -58.59 -42.06 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -34.4 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.073 0.463 . . . . 0.0 110.438 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' 1056 ' ' VAL . 98.4 mt -70.89 -46.66 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.683 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.8 pt-20 -63.81 -36.92 85.48 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.284 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' 1058 ' ' GLN . 29.5 mtpp -60.37 -36.25 77.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.17 0.294 . . . . 0.0 110.934 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -51.96 67.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 110.749 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.789 HD13 ' HB1' ' A' 1132 ' ' ALA . 7.5 mp -70.45 -21.84 62.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.604 -174.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1061 ' ' GLU . 29.7 mm-40 -67.77 -39.44 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -63.95 -53.04 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.491 175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.491 HG12 ' HD2' ' A' 1136 ' ' ARG . 1.8 mp -58.37 -37.23 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.267 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.348 . . . . 0.0 110.58 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.32 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.068 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.88 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.415 ' HB2' HD22 ' A' 1076 ' ' LEU . . . -72.62 -27.89 62.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.8 -46.0 85.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.293 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.3 -18.82 44.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.65 37.47 5.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.859 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.36 -75.72 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' 1140 ' ' ALA . 39.4 mt 50.31 175.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' 1080 ' ' PRO . 0.0 OUTLIER -139.62 115.63 8.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.45 176.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -81.78 9.43 3.93 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.349 2.033 . . . . 0.0 112.163 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' 1080 ' ' PRO . 41.6 mt -76.9 -50.48 2.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.133 -176.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' 1077 ' ' LYS . 61.2 Cg_endo -73.18 16.37 0.45 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.133 1.889 . . . . 0.0 113.197 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -124.05 108.73 1.19 Allowed Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -80.98 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.9 0.857 . . . . 0.0 110.651 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 40.0 p -136.51 157.21 47.33 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 113.906 -1.497 . . . . 0.0 109.014 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 45.1 ttm -62.51 -32.4 73.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.822 0.344 . . . . 0.0 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.82 -47.47 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -46.31 83.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.304 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.408 ' O ' ' HB1' ' A' 1134 ' ' ALA . 74.7 m -61.6 -50.32 73.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.24 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1088 ' ' THR . . . . . 0.485 HG23 HD13 ' A' 1203 ' ' LEU . 25.5 p -64.05 -32.35 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.057 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.65 -51.41 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.779 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 46.8 t0 -64.09 -36.46 84.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.136 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.835 HD22 HD11 ' A' 1203 ' ' LEU . 19.3 tp -58.71 -53.05 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.189 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.93 -43.58 97.28 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.923 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -67.48 -37.36 82.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.584 0.23 . . . . 0.0 111.448 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 38.8 m -73.22 -29.74 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.1 m -58.21 -41.49 84.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.234 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.08 -29.66 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.915 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -76.06 -49.35 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.574 HG22 HG12 ' A' 1124 ' ' VAL . 4.0 p -74.7 -30.18 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.2 p -69.0 -37.21 78.57 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1100 ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' 1104 ' ' LYS . 13.6 p -74.75 -27.9 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.363 0.601 . . . . 0.0 109.993 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.594 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -72.09 -43.24 65.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.546 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.4 pt -64.14 -29.65 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.734 0.302 . . . . 0.0 110.733 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 53.8 mtmt -76.04 -28.99 57.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.72 -37.06 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.235 0.54 . . . . 0.0 110.684 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 50.5 tp -75.36 91.22 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.098 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -155.33 120.19 0.99 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.08 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -102.07 94.14 5.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 65.4 mt 67.7 95.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.789 -174.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -157.86 -77.33 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.084 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 86.17 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.131 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -96.92 -46.48 2.44 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1113 ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' 1114 ' ' GLU . 17.1 t-20 65.51 -76.02 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 O-C-N 124.48 0.753 . . . . 0.0 112.2 173.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' 1113 ' ' ASN . 5.7 tp10 166.46 -51.79 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.592 ' O ' HG13 ' A' 1119 ' ' ILE . 24.2 t-20 -78.2 -48.18 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.7 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1116 ' ' TYR . . . . . 0.47 ' HA ' HD13 ' A' 1119 ' ' ILE . 48.0 m-85 -58.79 -46.02 88.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.599 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.79 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -58.24 -39.88 80.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.676 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -68.81 -35.77 80.62 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.191 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' 1115 ' ' ASN . 80.6 mt -55.55 -55.04 19.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.06 0.457 . . . . 0.0 110.659 177.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.73 77.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -71.83 -21.45 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.026 0.441 . . . . 0.0 110.736 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -79.13 -44.53 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.093 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.69 -42.74 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.378 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.699 ' O ' ' HG ' ' A' 1128 ' ' LEU . 16.8 m -62.64 -46.3 96.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.327 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.71 -49.84 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.6 0.238 . . . . 0.0 110.838 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.87 -41.94 99.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.408 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.76 96.49 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.314 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.5 mt -71.55 -25.93 62.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' 1125 ' ' ALA . 12.9 mtm180 -61.38 -56.29 21.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.422 0.629 . . . . 0.0 109.435 175.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.2 m -66.31 -33.63 76.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.469 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.516 HD22 HD12 ' A' 1091 ' ' LEU . 0.4 OUTLIER -54.23 -48.95 70.52 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 173.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.789 ' HB1' HD13 ' A' 1064 ' ' LEU . . . -62.52 -50.82 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.445 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' 1129 ' ' ARG . 50.3 mt-30 -57.98 -39.73 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.264 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' 1087 ' ' CYS . . . -73.31 -44.05 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.365 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.298 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.491 ' HD2' HG12 ' A' 1067 ' ' ILE . 29.5 mtm180 -61.48 -35.35 77.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.003 0.43 . . . . 0.0 110.156 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.479 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -65.01 -51.33 52.06 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.163 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1138 ' ' VAL . . . . . 0.47 ' HB ' HG23 ' A' 1151 ' ' VAL . 73.8 t -53.92 -45.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.026 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.8 92.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.491 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 1076 ' ' LEU . . . -71.56 -26.92 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.545 -177.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1137 ' ' GLY . 94.9 mt -80.18 -36.9 34.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.823 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.498 HG22 HG23 ' A' 1147 ' ' VAL . 10.2 t -78.05 146.73 35.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.2 t -105.5 6.25 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.935 0.398 . . . . 0.0 110.425 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' 1148 ' ' GLN . 18.1 t70 -88.53 113.32 54.99 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -74.74 67.74 5.63 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.789 2.326 . . . . 0.0 111.707 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.72 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.572 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.498 HG23 HG22 ' A' 1142 ' ' THR . 29.0 m -69.62 -23.08 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.638 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.2 mt-30 -56.96 -42.83 80.86 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 121.144 0.497 . . . . 0.0 110.274 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.96 68.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.751 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -38.73 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.737 -174.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.47 HG23 ' HB ' ' A' 1138 ' ' VAL . 3.5 p -72.55 -37.08 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.9 mt -74.8 -44.21 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.95 -46.68 81.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.64 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.527 ' O ' HG22 ' A' 1158 ' ' VAL . 10.9 p -64.52 -45.27 87.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.692 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.5 t -66.28 -35.02 79.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.07 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.32 -35.58 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.391 . . . . 0.0 109.999 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' 1154 ' ' THR . 89.2 t -59.06 -58.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 176.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' 1061 ' ' GLU . 3.2 pp -65.32 -30.68 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.578 ' N ' HD12 ' A' 1159 ' ' LEU . 32.2 t70 -57.9 -49.69 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 176.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.7 mptt -77.22 -27.55 53.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.056 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -63.73 -47.17 82.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.01 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1167 ' ' GLU . 5.0 p -67.12 -45.74 76.27 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.03 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 68.9 m -57.26 -34.03 68.2 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.75 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -61.09 -51.88 67.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.58 ' HB ' HD23 ' A' 1054 ' ' LEU . 35.4 mt -67.19 -40.4 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.72 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' 1163 ' ' SER . 49.4 mt-10 -67.41 -45.88 74.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.51 -42.3 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1169 ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' 1185 ' ' LEU . . . -61.23 -37.97 84.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -65.33 -36.77 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.101 0.477 . . . . 0.0 110.404 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.37 -43.48 50.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.913 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.539 ' HB2' ' HG ' ' A' 1181 ' ' SER . . . -72.35 -30.56 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.71 -176.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 70.3 m -69.97 136.41 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 110.196 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 105.31 8.37 35.84 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -117.37 101.01 53.03 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 102.79 1.25 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.903 2.402 . . . . 0.0 112.632 -175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 78.55 58.44 3.08 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.893 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' 1179 ' ' PRO . 13.2 t70 -108.56 116.3 56.41 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 120.754 0.311 . . . . 0.0 110.726 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' 1183 ' ' GLN . 27.1 Cg_endo -63.45 -38.31 43.34 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.938 2.425 . . . . 0.0 112.301 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.9 -40.71 87.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.468 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1181 ' ' SER . . . . . 0.539 ' HG ' ' HB2' ' A' 1172 ' ' ALA . 47.0 t -50.18 -43.12 52.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.503 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -62.96 -50.9 68.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.921 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' 1179 ' ' PRO . 7.6 mm100 -68.44 -48.41 64.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.313 -173.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -62.12 -43.41 98.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.117 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' 1169 ' ' ALA . 2.4 mm? -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.948 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.8 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.16 -49.35 70.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.408 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.75 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -69.33 -36.81 73.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.346 -175.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -66.19 -40.09 90.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 177.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' 1193 ' ' THR . 17.7 tptm -67.98 -33.84 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.03 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.95 91.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.74 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.457 HG23 HD12 ' A' 1165 ' ' LEU . 49.1 t -62.25 -41.48 91.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.945 0.402 . . . . 0.0 109.991 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1193 ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' 1190 ' ' LYS . 62.8 m -51.19 -52.97 39.23 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.145 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -73.43 -37.8 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.595 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.56 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' 1095 ' ' THR . 76.4 mt -59.48 -52.61 64.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.125 177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.9 t30 -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 tpt180 -68.39 -34.63 76.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.2 t -68.58 -48.45 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.344 0.592 . . . . 0.0 109.532 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.425 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 24.5 m -69.25 -21.92 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.978 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 11.8 t -77.49 -29.87 52.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 84.5 m -86.11 -1.53 57.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.397 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.835 HD11 HD22 ' A' 1091 ' ' LEU . 62.7 mt -65.2 122.6 80.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 111.418 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1204 ' ' PRO . . . . . 0.411 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 68.8 Cg_endo -85.9 108.05 0.95 Allowed 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.86 2.373 . . . . 0.0 111.687 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -80.1 73.24 2.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.468 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -79.32 111.54 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.009 0.433 . . . . 0.0 111.264 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.015 174.389 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1041 ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' 1047 ' ' PRO . 4.1 mp -76.07 95.28 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' 1044 ' ' PHE . 9.7 m-20 -67.92 -48.9 38.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -175.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.62 39.83 0.51 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.073 1.849 . . . . 0.0 112.976 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1044 ' ' PHE . . . . . 0.44 ' H ' ' C ' ' A' 1042 ' ' ASP . 44.7 t80 -134.77 -4.29 2.53 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.905 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 73.3 p 48.65 40.6 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.652 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 131.9 72.62 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.683 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1047 ' ' PRO . . . . . 0.572 ' HB3' ' HB ' ' A' 1041 ' ' ILE . 74.5 Cg_endo -75.15 146.25 31.91 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.419 2.079 . . . . 0.0 111.651 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1048 ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' 1051 ' ' ASP . 89.3 mt 59.46 61.5 2.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.226 0.536 . . . . 0.0 109.803 -177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.475 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 1.8 mp0 -51.05 -57.91 7.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.601 -174.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 58.2 mtt -72.82 -31.98 65.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.538 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1051 ' ' ASP . . . . . 0.681 ' HB3' ' HB3' ' A' 1048 ' ' LEU . 38.7 t70 -73.69 -37.21 65.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.683 0.278 . . . . 0.0 110.94 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.7 m -71.4 -29.68 65.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 0.0 110.166 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.78 69.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.942 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.614 ' HB2' HG22 ' A' 1166 ' ' ILE . 59.4 tp -64.79 -42.63 94.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.126 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 10.4 p -61.56 -31.91 71.97 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.642 0.258 . . . . 0.0 110.752 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.1 t -62.4 -46.34 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.487 ' HA ' HD12 ' A' 1060 ' ' LEU . 44.1 t -65.5 -36.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' 1054 ' ' LEU . 34.4 mm-40 -61.94 -32.89 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.13 -27.56 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.632 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.626 HD21 ' HG2' ' A' 1129 ' ' ARG . 98.3 mt -67.75 -45.73 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.682 ' HB3' HD11 ' A' 1159 ' ' LEU . 7.1 pt-20 -64.36 -41.97 96.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.633 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.54 -28.38 67.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -52.33 55.23 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.709 HD23 ' HB1' ' A' 1132 ' ' ALA . 25.0 mt -67.74 -28.75 67.9 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.826 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' 1061 ' ' GLU . 14.8 mm100 -62.18 -29.5 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.751 176.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.66 -37.94 65.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.063 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.645 HG22 HD12 ' A' 1152 ' ' LEU . 2.1 mp -67.48 -38.79 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.87 -50.68 72.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.07 86.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.92 96.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.388 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.418 ' HB2' HD22 ' A' 1076 ' ' LEU . . . -67.69 -35.56 79.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.47 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -64.12 -40.45 96.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.111 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -76.03 -38.34 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 107.8 36.15 2.45 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -173.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -104.54 -68.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.435 . . . . 0.0 110.798 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' 1076 ' ' LEU . 14.0 mt 51.05 -178.18 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.216 1.006 . . . . 0.0 113.58 -176.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -136.59 99.13 10.65 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.576 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' A' 1140 ' ' ALA . 12.0 Cg_exo -69.66 -72.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.577 2.184 . . . . 0.0 111.91 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.8 mp 50.23 86.23 0.16 Allowed Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.755 0.659 . . . . 0.0 111.061 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.41 138.21 47.32 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.396 2.731 . . . . 0.0 113.001 -175.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 163.27 -49.61 0.31 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -98.82 129.31 45.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 66.8 p -90.42 169.82 10.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.8 tpp -58.44 -44.17 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -44.3 97.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -57.79 -54.44 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.569 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 71.6 m -65.3 -44.66 87.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.6 p -64.11 -36.13 83.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 110.966 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.15 -49.51 60.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.29 -33.23 74.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.687 HD12 HG12 ' A' 1200 ' ' VAL . 0.3 OUTLIER -57.3 -54.08 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.277 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -65.54 -27.48 72.62 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.504 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -78.22 -40.87 36.09 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.542 -0.387 . . . . 0.0 111.065 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.448 ' O ' HG13 ' A' 1098 ' ' VAL . 20.1 m -63.57 -34.43 77.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.755 HG21 ' HB3' ' A' 1196 ' ' LEU . 97.0 m -55.51 -49.04 73.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.165 172.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' 1092 ' ' GLY . 55.6 mttp -62.03 -44.58 96.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.02 -61.66 2.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.531 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' 1094 ' ' SER . 7.7 p -67.78 -26.48 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.595 0.236 . . . . 0.0 111.043 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.7 t -67.42 -37.98 83.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.986 0.422 . . . . 0.0 110.161 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 23.1 t -69.9 -35.81 74.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.542 ' HB1' ' OD1' ' A' 1123 ' ' ASP . . . -65.85 -49.29 68.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.665 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.426 ' HA ' ' HB3' ' A' 1105 ' ' LEU . 36.0 pt -62.96 -23.73 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.604 0.24 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.96 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.573 . . . . 0.0 109.955 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.502 ' HE3' ' CE1' ' A' 1116 ' ' TYR . 26.1 mmmt -76.39 -24.03 54.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.119 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.436 HD11 HD22 ' A' 1106 ' ' LEU . 2.7 tm? -78.94 -51.47 9.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.772 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' 1185 ' ' LEU . 3.4 mm? -81.79 -5.52 58.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -176.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -137.84 176.05 20.9 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.697 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 64.38 21.38 12.47 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.144 0.578 . . . . 0.0 112.218 174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' 1114 ' ' GLU . 51.0 mm 65.97 102.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 112.116 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -125.35 20.73 8.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.158 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.34 98.54 10.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.671 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 100.72 -166.6 19.45 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.33 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -76.67 45.94 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.006 0.432 . . . . 0.0 111.582 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.515 ' HG3' HG21 ' A' 1109 ' ' ILE . 22.8 mm-40 -69.71 -73.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -179.41 -55.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.068 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1116 ' ' TYR . . . . . 0.502 ' CE1' ' HE3' ' A' 1104 ' ' LYS . 41.6 m-85 -67.55 -26.84 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.78 -177.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -51.26 -48.63 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.322 0.389 . . . . 0.0 111.345 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1118 ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -79.59 -49.63 6.06 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.111 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.7 -54.95 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1120 ' ' ALA . . . . . 0.434 ' HB2' HD22 ' A' 1105 ' ' LEU . . . -70.27 -37.11 74.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -173.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.45 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.321 0.581 . . . . 0.0 110.312 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -72.08 -35.74 69.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.213 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1123 ' ' ASP . . . . . 0.542 ' OD1' ' HB1' ' A' 1101 ' ' ALA . 11.3 t70 -73.5 -41.3 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.251 -177.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1124 ' ' VAL . . . . . . . . . . . . . 24.4 m -58.23 -38.72 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -63.97 -43.17 96.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.4 96.0 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.319 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.16 -44.42 97.4 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.814 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.496 HD23 ' CB ' ' A' 1162 ' ' ALA . 2.4 mp -62.58 -37.63 86.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.663 ' HG3' ' O ' ' A' 1125 ' ' ALA . 54.7 mtp180 -60.72 -55.46 32.88 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.264 0.554 . . . . 0.0 110.003 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 5.1 m -59.89 -37.66 80.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.628 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -56.19 25.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.821 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.709 ' HB1' HD23 ' A' 1064 ' ' LEU . . . -59.28 -46.38 88.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.925 -177.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' 1129 ' ' ARG . 24.1 mt-30 -64.67 -39.74 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.224 -177.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1138 ' ' VAL . . . -68.57 -40.56 80.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.77 0.319 . . . . 0.0 110.742 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.31 80.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.676 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.558 ' HD2' HG12 ' A' 1067 ' ' ILE . 35.7 ptt180 -70.48 -23.51 62.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.454 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.1 -47.59 58.42 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 171.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1138 ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' 1134 ' ' ALA . 56.8 t -51.47 -50.65 28.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.4 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.975 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' 1078 ' ' PRO . . . -76.19 -26.34 56.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 111.017 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 1137 ' ' GLY . 73.6 mt -86.98 -38.6 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.272 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.479 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.1 t -75.61 150.05 38.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.132 0.491 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 35.7 t -118.01 12.01 13.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.662 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.34 110.61 37.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.65 68.79 3.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.19 2.594 . . . . 0.0 112.754 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.07 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.154 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' 1151 ' ' VAL . 27.5 m -71.93 -25.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.219 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' 1152 ' ' LEU . 16.2 mt-30 -57.89 -55.82 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.197 0.522 . . . . 0.0 110.802 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.24 67.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.3 OUTLIER -74.21 -39.6 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.89 -175.503 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' 1147 ' ' VAL . 5.3 p -65.94 -36.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.158 0.504 . . . . 0.0 110.686 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.645 HD12 HG22 ' A' 1067 ' ' ILE . 30.9 mt -73.42 -44.52 58.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.317 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.939 -178.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.442 ' O ' HG21 ' A' 1158 ' ' VAL . 21.3 p -63.41 -43.53 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.201 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.08 79.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.181 0.515 . . . . 0.0 110.92 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 33.6 m -71.49 -36.47 71.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.818 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.45 ' O ' ' HD3' ' A' 1161 ' ' LYS . 26.5 t70 -63.75 -33.07 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.43 . . . . 0.0 110.012 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' 1154 ' ' THR . 98.7 t -58.04 -56.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.539 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -68.23 -30.94 70.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.513 ' N ' HD13 ' A' 1159 ' ' LEU . 13.7 m-20 -58.32 -52.9 63.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.143 0.497 . . . . 0.0 110.567 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' 1157 ' ' ASP . 0.5 OUTLIER -65.54 -40.27 92.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.494 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.496 ' CB ' HD23 ' A' 1128 ' ' LEU . . . -64.24 -35.3 80.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.569 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' 1167 ' ' GLU . 65.0 m -63.57 -44.96 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.9 t -66.46 -32.03 73.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.106 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.548 HD13 HD21 ' A' 1106 ' ' LEU . 57.8 tp -59.32 -49.42 77.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.136 173.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.614 HG22 ' HB2' ' A' 1054 ' ' LEU . 91.7 mt -66.34 -41.41 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 1163 ' ' SER . 46.2 mt-10 -60.72 -50.88 71.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -56.83 -46.32 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.612 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.34 90.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.408 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -60.55 -41.08 93.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.065 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -77.7 -39.75 43.66 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.674 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.76 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 22.5 m -62.99 -26.12 68.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.325 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -93.8 4.65 72.31 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -98.7 123.89 48.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.531 0.205 . . . . 0.0 111.488 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.64 -15.84 21.49 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.308 2.005 . . . . 0.0 110.664 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -132.85 101.7 0.45 Allowed Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.429 ' N ' ' CD ' ' A' 1179 ' ' PRO . 6.2 p30 -122.89 32.61 0.21 Allowed Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' 1178 ' ' ASP . 30.8 Cg_endo -63.52 -49.24 4.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 CA-C-N 121.018 1.399 . . . . 0.0 111.824 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -74.53 -32.5 62.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.114 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 5.2 t -64.07 -46.62 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1182 ' ' GLN . . . . . 0.613 ' HA ' HD12 ' A' 1185 ' ' LEU . 79.4 mt-30 -69.83 -22.9 63.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.475 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1187 ' ' GLN . 68.5 mm-40 -64.46 -41.53 96.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -66.34 -40.42 89.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.437 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' 1182 ' ' GLN . 88.6 mt -54.59 -50.42 68.05 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.869 176.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.9 mt-30 -63.55 -53.19 55.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.918 0.389 . . . . 0.0 111.209 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' 1192 ' ' VAL . 7.6 p -69.27 -29.19 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.41 -172.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.417 ' HB3' ' HG ' ' A' 1106 ' ' LEU . . . -60.66 -43.91 97.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.155 0.503 . . . . 0.0 110.342 175.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 59.8 mttp -72.09 -30.42 65.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.46 96.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 1188 ' ' VAL . 61.9 t -61.97 -43.05 97.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.138 0.495 . . . . 0.0 110.003 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 -38.49 87.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.994 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.75 -39.92 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.311 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.74 82.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.266 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.755 ' HB3' HG21 ' A' 1095 ' ' THR . 86.7 mt -58.34 -49.49 77.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.356 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.447 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.8 t30 -62.6 -37.81 87.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.962 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.07 -38.56 89.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.529 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.6 t -72.3 -47.3 51.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.687 HG12 HD12 ' A' 1091 ' ' LEU . 32.7 m -67.85 -21.91 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.458 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 26.3 t -76.85 -31.2 56.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.026 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1202 ' ' CYS . . . . . 0.408 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 82.8 m -86.2 -12.95 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.683 HD21 ' HG ' ' A' 1091 ' ' LEU . 77.5 mt -58.19 125.25 74.22 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -69.03 88.32 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.455 2.103 . . . . 0.0 112.146 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -99.5 2.38 57.43 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -75.39 101.34 4.74 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.162 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' 1207 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.16 174.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 41.4 pt -85.65 -27.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.547 ' H ' ' HD2' ' A' 1043 ' ' PRO . 36.0 t70 -108.82 -57.07 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.462 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.547 ' HD2' ' H ' ' A' 1042 ' ' ASP . 38.2 Cg_endo -67.39 129.96 21.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.587 1.525 . . . . 0.0 111.456 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 62.3 t80 -122.42 84.12 2.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.425 0.631 . . . . 0.0 109.502 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 43.3 p -104.22 9.28 36.17 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.373 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 95.96 93.95 1.78 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.502 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.46 -0.85 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.926 2.418 . . . . 0.0 112.268 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.8 mp 62.22 89.44 0.08 Allowed 'General case' 0 C--O 1.233 0.237 0 O-C-N 123.746 0.654 . . . . 0.0 111.63 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.9 -37.9 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.555 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.553 ' HE3' ' HB3' ' A' 1117 ' ' ALA . 51.9 mtt -58.34 -49.52 76.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.332 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -34.87 74.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.415 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.8 m -63.54 -41.11 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -65.47 -43.8 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.324 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.567 ' HB2' HG23 ' A' 1166 ' ' ILE . 46.1 tp -54.62 -34.67 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.77 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 28.5 t -60.42 -50.37 73.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.0 m -69.89 -30.87 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.673 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.516 ' HA ' HD13 ' A' 1060 ' ' LEU . 88.8 t -65.39 -40.94 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.0 110.307 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.467 ' O ' ' HG3' ' A' 1061 ' ' GLU . 49.5 mt-30 -65.17 -36.26 83.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -65.62 -30.5 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.465 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.716 HD23 ' HG2' ' A' 1129 ' ' ARG . 93.8 mt -72.74 -50.71 22.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' 1159 ' ' LEU . 0.0 OUTLIER -61.82 -38.99 90.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.94 -177.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.95 -34.01 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.484 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' 1067 ' ' ILE . 31.6 t70 -61.22 -47.68 84.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.373 0.606 . . . . 0.0 109.649 174.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.778 HD22 ' HB1' ' A' 1132 ' ' ALA . 13.0 mt -68.11 -27.02 66.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.847 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' 1061 ' ' GLU . 15.5 mm100 -63.51 -41.46 98.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.444 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.05 -44.06 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 110.558 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' 1063 ' ' ASP . 39.5 mt -64.55 -32.76 59.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 110.336 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.73 -41.16 98.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.997 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.34 95.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.149 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.88 99.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.97 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.958 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.99 94.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.276 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.81 -46.32 18.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.16 40.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.628 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -117.86 15.17 14.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.548 ' O ' ' HD3' ' A' 1078 ' ' PRO . 67.4 mt -63.07 147.99 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.221 176.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -97.43 100.62 8.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.383 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' 1076 ' ' LEU . 93.0 Cg_endo -83.71 -17.74 5.94 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.623 2.215 . . . . 0.0 112.997 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.487 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 11.1 mp -66.1 -51.94 42.43 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.189 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 95.4 Cg_endo -91.8 -166.15 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.232 1.954 . . . . 0.0 111.749 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 102.63 14.31 27.81 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.638 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.13 -170.97 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 11.2 p -88.11 156.18 19.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 0.0 111.209 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 40.9 ttm -64.49 -43.47 94.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.782 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.18 -37.81 86.52 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.701 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.42 -53.71 55.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' 1091 ' ' LEU . 69.3 m -60.65 -46.57 89.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.49 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 13.2 p -67.67 -42.18 82.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -71.84 -48.79 43.72 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.665 0.269 . . . . 0.0 111.243 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -24.55 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.437 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.82 HD21 HD11 ' A' 1203 ' ' LEU . 14.8 tp -59.6 -40.94 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.343 0.592 . . . . 0.0 109.428 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -66.94 -32.27 80.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.757 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -67.87 -40.28 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.1 m -65.96 -37.73 86.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.871 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.691 HG21 ' HB3' ' A' 1196 ' ' LEU . 96.9 m -56.44 -43.56 79.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.634 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' 1092 ' ' GLY . 28.0 mtpp -58.67 -40.97 85.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.926 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.08 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1098 ' ' VAL . . . . . . . . . . . . . 61.5 t -63.67 -45.39 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.719 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 23.0 t -60.79 -34.09 73.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.902 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 47.3 m -75.2 -42.73 55.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.48 90.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.428 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.526 ' HA ' HD11 ' A' 1105 ' ' LEU . 25.1 pt -64.5 -23.19 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.997 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -75.17 -36.4 61.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -73.88 -27.26 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.627 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1102 ' ' ILE . 95.2 mt -64.41 -25.69 68.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.954 0.407 . . . . 0.0 110.192 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' 1102 ' ' ILE . 84.2 mt -81.0 4.74 18.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 177.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -92.81 111.11 4.03 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.955 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1108 ' ' GLU . . . . . 0.506 ' HB3' ' HG3' ' A' 1111 ' ' GLN . 3.3 tm-20 -73.39 150.5 41.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.451 HG22 ' HB3' ' A' 1114 ' ' GLU . 73.7 mt -52.3 -48.59 44.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -74.45 0.58 14.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1111 ' ' GLN . . . . . 0.506 ' HG3' ' HB3' ' A' 1108 ' ' GLU . 45.5 mt-30 -91.72 -17.21 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 110.627 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -168.29 -91.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.583 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -134.9 135.73 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.588 0.232 . . . . 0.0 110.637 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.451 ' HB3' HG22 ' A' 1109 ' ' ILE . 8.8 pt-20 -59.08 -28.13 66.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.185 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.439 HD21 ' HA ' ' A' 1115 ' ' ASN . 6.8 m120 -63.51 -20.14 65.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.576 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -57.02 -32.01 65.71 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.643 0.259 . . . . 0.0 110.831 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.553 ' HB3' ' HE3' ' A' 1050 ' ' MET . . . -59.65 -46.76 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.851 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.47 -37.51 20.39 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.584 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.33 -53.29 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.28 71.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.198 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.96 71.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1122 ' ' ARG . . . . . 0.494 ' C ' ' HD3' ' A' 1122 ' ' ARG . 1.7 tmt_? -69.37 -40.37 77.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.083 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.73 -41.0 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.601 ' O ' HD21 ' A' 1128 ' ' LEU . 12.6 m -67.79 -39.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.472 175.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.663 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -55.89 -48.08 76.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -71.86 -35.55 61.7 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.792 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.4 -51.17 60.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.558 -0.353 . . . . 0.0 112.979 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' 1124 ' ' VAL . 0.3 OUTLIER -65.0 -26.37 68.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.133 0.466 . . . . 0.0 111.619 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.716 ' HG2' HD23 ' A' 1060 ' ' LEU . 46.1 mtm180 -64.9 -53.13 51.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.279 0.561 . . . . 0.0 109.709 175.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.0 m -60.21 -40.9 91.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.691 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.587 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -58.0 -51.02 71.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.831 177.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.778 ' HB1' HD22 ' A' 1064 ' ' LEU . . . -58.96 -55.17 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.122 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' 1134 ' ' ALA . 13.3 pt20 -59.35 -45.12 92.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 111.751 -172.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.569 ' N ' ' HG3' ' A' 1133 ' ' GLN . . . -66.45 -41.24 89.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.455 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.939 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' 1132 ' ' ALA . 11.8 mmm180 -70.98 -35.77 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.369 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.48 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.81 -39.0 96.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.974 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 73.8 t -55.45 -48.66 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.972 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.92 65.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.16 55.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.81 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1137 ' ' GLY . 92.7 mt -70.68 -41.0 72.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.787 -176.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.421 HG22 HG23 ' A' 1147 ' ' VAL . 9.0 t -77.77 145.96 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.8 m -115.23 23.45 12.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' 1148 ' ' GLN . 13.0 m-20 -104.59 113.09 65.34 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.479 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.5 Cg_exo -72.07 67.37 3.32 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.3 2.667 . . . . 0.0 112.45 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.22 -57.21 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.037 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' 1151 ' ' VAL . 30.8 m -66.97 -28.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.326 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.662 ' O ' ' HG ' ' A' 1152 ' ' LEU . 25.4 mt-30 -55.97 -44.93 78.99 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 121.272 0.558 . . . . 0.0 110.453 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.48 -37.42 63.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.546 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -39.43 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.673 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -70.98 -35.22 58.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.038 0.447 . . . . 0.0 110.971 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.8 mt -78.24 -42.19 31.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 0.0 110.203 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.3 -45.01 84.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.839 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.536 ' O ' HG23 ' A' 1158 ' ' VAL . 19.3 p -69.56 -39.87 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.277 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.62 88.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.233 0.54 . . . . 0.0 110.44 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 15.0 m -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.22 -40.37 86.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 1154 ' ' THR . 90.8 t -57.79 -56.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -65.36 -30.36 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.523 ' N ' HD11 ' A' 1159 ' ' LEU . 33.7 t70 -57.06 -49.94 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.107 0.479 . . . . 0.0 110.37 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.2 mptt -77.25 -32.41 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.672 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -65.13 -37.58 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.356 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 32.1 m -64.23 -45.06 89.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.272 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1164 ' ' SER . . . . . 0.54 ' O ' ' HB2' ' A' 1168 ' ' GLU . 51.7 m -73.17 -18.6 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.486 HD22 HG21 ' A' 1102 ' ' ILE . 31.5 tp -68.25 -45.3 73.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 171.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' 1054 ' ' LEU . 59.8 mt -66.78 -48.91 78.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.292 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' A' 1170 ' ' LYS . 4.2 mm-40 -63.6 -28.72 70.12 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 176.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.2 tp10 -60.41 -51.13 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.75 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.053 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1170 ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' 1167 ' ' GLU . 6.1 mmmm -50.79 -47.37 59.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.454 . . . . 0.0 110.415 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.41 ' O ' ' HD2' ' A' 1175 ' ' HIS . 45.8 mttp -76.61 -50.63 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.587 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.15 67.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.816 -173.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 21.7 p -68.74 -9.62 51.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -104.9 12.19 49.49 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.484 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 87.8 m-70 -123.73 77.92 56.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.395 0.14 . . . . 0.0 110.685 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.2 -14.38 9.58 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.216 1.944 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -115.68 13.72 17.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.709 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 9.9 m-20 -106.21 115.75 60.54 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.608 ' O ' ' HG2' ' A' 1182 ' ' GLN . 37.8 Cg_endo -67.14 -27.07 42.1 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.41 2.074 . . . . 0.0 111.526 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -71.12 -19.17 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.161 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 21.8 t -60.28 -40.97 92.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.715 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1182 ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' 1179 ' ' PRO . 13.8 pt20 -66.73 -33.28 75.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.57 -38.82 77.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 110.369 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -56.96 -52.03 66.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.792 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.37 -47.71 75.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.601 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.51 90.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.53 63.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.06 -175.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1188 ' ' VAL . . . . . . . . . . . . . 14.5 p -77.13 -32.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.05 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.166 0.508 . . . . 0.0 109.963 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.7 ttpp -66.36 -40.07 89.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.853 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.07 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 99.3 t -63.33 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.289 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 46.0 m -57.92 -47.0 84.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.08 -35.25 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.099 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.515 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.691 ' HB3' HG21 ' A' 1095 ' ' THR . 91.3 mt -58.1 -52.38 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.495 ' HA ' HG21 ' A' 1200 ' ' VAL . 10.9 t30 -64.12 -37.45 87.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.477 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -59.55 -38.7 81.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.816 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1199 ' ' CYS . . . . . 0.515 ' O ' ' HG ' ' A' 1203 ' ' LEU . 24.4 t -74.21 -51.25 16.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 0.0 110.096 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' 1197 ' ' ASN . 21.5 m -67.15 -21.64 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.001 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 13.6 t -77.51 -41.25 39.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.662 0.268 . . . . 0.0 111.159 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1202 ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' 1154 ' ' THR . 20.9 p -86.86 -1.42 57.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.82 HD11 HD21 ' A' 1091 ' ' LEU . 57.7 mt -56.81 121.6 46.18 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1204 ' ' PRO . . . . . 0.453 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 56.8 Cg_endo -77.27 98.88 1.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.36 2.04 . . . . 0.0 110.558 169.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -126.65 41.51 1.61 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -116.05 146.32 42.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.773 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' 1207 ' ' ARG . 16.1 ptt85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.865 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.0 113.56 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.892 0.377 . . . . 0.0 110.433 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.25 152.45 79.0 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.744 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.33 92.99 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.586 2.191 . . . . 0.0 112.481 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 31.9 t80 -146.47 16.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.714 0.769 . . . . 0.0 109.198 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 19.0 p -101.16 26.9 6.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.421 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 102.41 69.78 0.84 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.529 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.51 -46.32 5.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.58 2.186 . . . . 0.0 111.799 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 93.0 mt -134.74 143.49 47.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.479 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.56 -40.44 83.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.249 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.844 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 34.6 mtt -57.94 -37.81 74.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.256 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.31 -39.75 71.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.048 0.452 . . . . 0.0 110.144 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1052 ' ' SER . . . . . 0.423 ' O ' HG21 ' A' 1056 ' ' VAL . 16.8 t -63.43 -47.23 82.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.797 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.028 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.523 ' O ' ' HG3' ' A' 1058 ' ' GLN . 58.0 tp -59.45 -39.89 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 177.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -60.92 -35.8 77.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.722 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.581 ' HA ' ' ND2' ' A' 1059 ' ' ASN . 58.3 t -65.07 -41.96 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.124 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 33.8 t -62.22 -35.28 68.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' 1054 ' ' LEU . 71.4 mt-30 -65.45 -37.95 88.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.569 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1059 ' ' ASN . . . . . 0.581 ' ND2' ' HA ' ' A' 1056 ' ' VAL . 11.7 p30 -76.46 -26.83 55.81 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.205 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' 1056 ' ' VAL . 91.3 mt -67.66 -45.46 75.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.633 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' 1065 ' ' GLN . 7.9 pt-20 -63.92 -36.96 85.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' 1058 ' ' GLN . 98.6 mttt -58.87 -48.97 79.51 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' 1067 ' ' ILE . 5.8 m-20 -62.96 -40.03 96.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.982 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.719 HD23 ' HB3' ' A' 1132 ' ' ALA . 12.2 mt -66.61 -33.23 75.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' 1061 ' ' GLU . 80.8 mm-40 -61.47 -42.64 99.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.98 -42.85 75.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.089 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' 1063 ' ' ASP . 79.4 mt -65.68 -32.39 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.502 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.08 -45.97 91.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.253 0.549 . . . . 0.0 110.161 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.09 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.492 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.41 86.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -64.88 -41.35 95.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 177.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.19 -39.38 89.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1073 ' ' ASP . . . . . 0.412 ' OD2' ' HG2' ' A' 1075 ' ' LYS . 25.0 t70 -73.43 -36.11 65.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 112.36 9.68 19.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.338 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1075 ' ' LYS . . . . . 0.412 ' HG2' ' OD2' ' A' 1073 ' ' ASP . 31.6 mmmt -92.36 10.6 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 111.166 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 47.1 tp -60.5 121.21 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 59.6 tptt -58.3 107.73 1.05 Allowed Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.057 0.543 . . . . 0.0 110.738 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.552 ' HA ' ' HB3' ' A' 1140 ' ' ALA . 57.6 Cg_endo -79.05 -13.71 13.91 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.348 2.032 . . . . 0.0 112.452 -173.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.4 mp -115.11 90.56 24.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.398 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.77 -17.25 37.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.606 2.204 . . . . 0.0 111.478 177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 94.24 5.89 61.84 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1082 ' ' GLU . . . . . 0.746 ' HB2' ' HD3' ' A' 1086 ' ' LYS . 11.0 pt-20 -147.84 167.56 24.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 6.2 p -83.54 164.99 19.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.25 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.14 -33.99 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.58 -36.03 68.89 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.252 0.345 . . . . 0.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1086 ' ' LYS . . . . . 0.746 ' HD3' ' HB2' ' A' 1082 ' ' GLU . 29.1 mtpt -66.71 -50.45 62.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.599 177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 63.9 m -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.7 p -69.42 -34.55 74.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.045 0.45 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.76 -44.2 50.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.207 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.55 -36.26 82.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.409 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.458 HD23 HD11 ' A' 1203 ' ' LEU . 15.7 tp -61.26 -40.98 96.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.41 67.67 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.846 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.39 -44.43 95.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.636 0.255 . . . . 0.0 111.121 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.526 ' O ' HG11 ' A' 1098 ' ' VAL . 6.2 p -64.88 -43.13 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.488 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.689 HG23 ' HB3' ' A' 1196 ' ' LEU . 53.2 m -53.59 -51.8 61.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.581 174.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.45 -41.19 93.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.32 -58.77 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.268 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.538 HG23 HG12 ' A' 1124 ' ' VAL . 8.1 p -68.01 -30.01 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.213 -176.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.0 t -62.5 -34.16 76.32 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.374 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.24 -31.38 60.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.217 0.532 . . . . 0.0 110.274 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.432 ' HB1' ' OD2' ' A' 1123 ' ' ASP . . . -76.05 -43.84 41.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.667 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 26.7 pt -62.79 -25.27 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.681 0.277 . . . . 0.0 110.914 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.27 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.437 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 74.2 mmtt -76.76 -36.52 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.772 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.552 HD22 ' HE2' ' A' 1050 ' ' MET . 96.2 mt -63.7 -37.11 86.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.282 0.563 . . . . 0.0 110.241 176.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.624 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 44.6 tp -60.53 116.5 4.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.559 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 103.73 133.89 8.04 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.576 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.49 123.2 22.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 10.4 tt -115.99 132.37 65.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 67.33 -85.35 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 O-C-N 124.0 0.813 . . . . 0.0 111.073 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -140.5 -39.75 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.416 0.627 . . . . 0.0 109.863 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1112 ' ' GLY . . . . . 0.582 ' HA3' ' HA ' ' A' 1173 ' ' SER . . . 156.05 130.06 1.25 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 8.2 t30 65.21 95.52 0.05 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.688 0.756 . . . . 0.0 109.562 -173.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.546 ' H ' ' HB1' ' A' 1117 ' ' ALA . 4.3 tm-20 -123.66 172.73 8.59 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.563 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.473 ' H ' ' CD ' ' A' 1114 ' ' GLU . 3.9 t-20 -58.98 -46.78 87.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -58.92 -37.97 77.89 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.791 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.844 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -62.0 -41.58 98.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.663 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.59 -44.08 65.38 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.109 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' 1115 ' ' ASN . 76.9 mt -57.61 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.675 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1120 ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -66.38 -37.68 85.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.428 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.04 94.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 110.735 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -67.72 -35.1 78.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.317 0.579 . . . . 0.0 109.996 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1123 ' ' ASP . . . . . 0.432 ' OD2' ' HB1' ' A' 1101 ' ' ALA . 25.9 t70 -73.91 -39.35 63.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.354 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.66 ' O ' ' HG ' ' A' 1128 ' ' LEU . 29.6 m -62.33 -40.32 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.568 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.7 87.81 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.849 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.28 97.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.302 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.73 72.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.215 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' 1124 ' ' VAL . 88.4 mt -64.36 -41.07 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' 1133 ' ' GLN . 19.7 ptt85 -65.2 -40.06 93.65 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.988 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1130 ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' 1094 ' ' SER . 16.4 m -66.32 -39.61 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.431 HD21 HD13 ' A' 1091 ' ' LEU . 0.5 OUTLIER -57.23 -48.41 78.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.492 176.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.719 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.302 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 1129 ' ' ARG . 25.6 mt-30 -60.55 -44.29 96.29 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.8 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.66 94.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.791 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.01 -34.44 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.133 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.8 mmp_? -65.14 -44.38 88.79 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.128 0.489 . . . . 0.0 110.018 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.73 88.33 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.355 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.2 t -54.06 -46.24 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.26 94.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.443 . . . . 0.0 111.397 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' 1078 ' ' PRO . . . -74.61 -26.21 59.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.266 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 75.4 mt -85.42 -37.35 19.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.3 t -72.61 150.68 42.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 0.0 110.319 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1143 ' ' SER . . . . . 0.425 ' O ' ' HD3' ' A' 1145 ' ' PRO . 19.9 m -105.15 5.27 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.454 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.6 t70 -92.85 108.86 35.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.528 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' 1143 ' ' SER . 2.9 Cg_exo -76.25 66.17 7.09 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.673 2.248 . . . . 0.0 111.621 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.42 -46.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.261 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' 1151 ' ' VAL . 23.8 m -72.98 -23.08 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 173.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.68 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.9 mt-30 -57.76 -55.07 39.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.33 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.9 OUTLIER -72.54 -46.53 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.618 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' 1147 ' ' VAL . 2.7 p -63.93 -32.59 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.814 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.6 mt -73.97 -43.85 56.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.699 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.85 -43.1 84.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.652 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.503 ' O ' HG23 ' A' 1158 ' ' VAL . 5.7 p -59.93 -40.2 88.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.482 0.182 . . . . 0.0 111.311 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1155 ' ' ALA . . . . . 0.444 ' HB2' ' NH2' ' A' 1136 ' ' ARG . . . -63.91 -31.24 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.443 . . . . 0.0 110.93 176.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.1 t -71.36 -35.15 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.7 -39.61 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.073 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' 1154 ' ' THR . 97.7 t -53.26 -57.11 5.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 177.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.511 HD22 HD13 ' A' 1064 ' ' LEU . 4.4 pp -69.4 -30.25 68.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.068 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.511 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -57.98 -49.36 77.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.006 0.431 . . . . 0.0 110.624 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.517 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.3 mptt -70.39 -36.65 74.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.362 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.4 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 37.1 m -63.37 -51.61 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.845 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 14.3 m -61.91 -29.26 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.744 ' HG ' HG12 ' A' 1188 ' ' VAL . 1.6 tt -65.49 -49.76 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.439 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.8 mt -70.38 -38.78 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.007 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' 1170 ' ' LYS . 46.9 mt-10 -66.5 -39.35 88.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.063 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.0 -35.6 81.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 110.13 174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.06 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1170 ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' 1167 ' ' GLU . 21.9 mmtp -60.84 -35.67 77.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 110.075 172.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.13 -42.95 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.647 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.583 ' HA ' ' NE2' ' A' 1175 ' ' HIS . . . -55.28 -35.91 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.522 0.514 . . . . 0.0 110.867 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1173 ' ' SER . . . . . 0.582 ' HA ' ' HA3' ' A' 1112 ' ' GLY . 38.6 t -77.2 -45.01 28.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.374 175.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.58 58.78 1.31 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.457 -175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.583 ' NE2' ' HA ' ' A' 1172 ' ' ALA . 0.6 OUTLIER -167.73 158.82 9.69 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.326 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -83.19 -21.67 4.44 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.039 1.826 . . . . 0.0 113.084 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 157.74 95.33 0.11 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.006 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -117.42 122.39 31.01 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-O 120.589 0.233 . . . . 0.0 110.937 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' A' 1183 ' ' GLN . 21.0 Cg_endo -61.69 -42.0 35.17 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.297 2.665 . . . . 0.0 112.92 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' 1184 ' ' ARG . 10.1 mm-40 -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 111.262 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1181 ' ' SER . . . . . 0.498 ' HB3' ' HE1' ' A' 1175 ' ' HIS . 34.4 t -56.77 -53.35 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.216 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.26 -27.06 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' 1179 ' ' PRO . 75.3 mm-40 -80.28 -42.42 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.176 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 1180 ' ' GLU . 37.3 mmt180 -64.5 -37.29 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 177.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.435 ' HA ' HG11 ' A' 1188 ' ' VAL . 14.2 tp -62.26 -33.8 75.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1186 ' ' ALA . . . . . 0.624 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -70.46 -43.08 70.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.566 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -67.25 -46.54 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.744 HG12 ' HG ' ' A' 1165 ' ' LEU . 8.7 p -67.57 -33.04 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.599 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.46 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -61.1 -42.57 98.77 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.294 0.569 . . . . 0.0 110.047 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.01 -34.91 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.407 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.55 88.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.609 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' 1188 ' ' VAL . 67.7 t -63.59 -39.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.333 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 41.6 m -57.56 -42.38 82.9 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.546 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.39 -35.08 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.221 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.69 92.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.34 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.689 ' HB3' HG23 ' A' 1095 ' ' THR . 83.4 mt -57.51 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.633 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.526 ' HA ' HG21 ' A' 1200 ' ' VAL . 0.0 OUTLIER -64.07 -36.15 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.47 -178.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.69 -33.7 74.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.624 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.1 t -76.61 -49.54 16.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.5 . . . . 0.0 109.873 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.526 HG21 ' HA ' ' A' 1197 ' ' ASN . 24.2 m -68.46 -23.16 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.356 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 14.5 t -77.53 -24.19 50.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.78 0.324 . . . . 0.0 110.375 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 87.1 m -78.88 -6.09 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.458 HD11 HD23 ' A' 1091 ' ' LEU . 91.4 mt -62.73 130.57 93.84 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1204 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 51.7 Cg_exo -55.04 145.99 60.78 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.134 2.556 . . . . 0.0 112.696 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -56.83 -39.27 87.53 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -139.88 -77.57 0.32 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.925 0.869 . . . . 0.0 108.935 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.187 175.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1041 ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' 1041 ' ' ILE . 3.9 mp -100.48 -50.32 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.746 0.308 . . . . 0.0 110.994 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.629 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 23.3 t70 -130.65 -54.23 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 42.0 Cg_exo -57.72 95.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.159 1.906 . . . . 0.0 113.133 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 34.7 t80 -143.41 28.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.778 0.799 . . . . 0.0 109.444 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 11.9 p -93.07 2.35 56.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.997 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -62.08 -60.34 8.15 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.633 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -65.05 164.36 25.3 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.506 2.138 . . . . 0.0 112.142 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.22 106.67 12.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.903 0.382 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.89 -39.97 69.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.556 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 53.7 mtt -63.37 -45.81 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.3 -38.63 81.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 36.0 m -69.58 -35.18 75.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.862 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' 1057 ' ' VAL . . . -68.33 -35.03 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.404 HD13 ' HB ' ' A' 1166 ' ' ILE . 36.2 tp -57.4 -42.5 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.662 178.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 42.1 m -58.62 -41.18 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.588 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' 1060 ' ' LEU . 51.0 t -65.34 -47.75 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.712 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' 1053 ' ' ALA . 70.9 t -58.38 -47.13 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.428 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 111.45 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1059 ' ' ASN . . . . . 0.529 ' HA ' ' HD3' ' A' 1062 ' ' LYS . 16.4 m-80 -76.3 -28.52 57.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.689 0.28 . . . . 0.0 111.188 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' 1064 ' ' LEU . 95.9 mt -64.56 -47.01 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.601 ' HB3' HD11 ' A' 1159 ' ' LEU . 14.9 pt-20 -69.76 -29.3 66.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 110.856 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' 1059 ' ' ASN . 46.6 mtpt -57.75 -43.87 85.7 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.126 0.489 . . . . 0.0 110.319 173.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.474 ' O ' HG13 ' A' 1067 ' ' ILE . 29.5 t70 -64.69 -43.74 92.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.439 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.89 HD23 ' HB1' ' A' 1132 ' ' ALA . 16.2 mt -64.47 -33.96 77.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.389 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' 1068 ' ' LYS . 54.8 mt-30 -64.58 -39.66 94.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.765 0.317 . . . . 0.0 110.754 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.64 -32.66 71.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.07 0.462 . . . . 0.0 110.25 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' 1063 ' ' ASP . 75.3 mt -70.32 -44.52 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.629 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' 1065 ' ' GLN . 19.1 pttp -70.3 -28.72 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.359 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.273 0.558 . . . . 0.0 110.196 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -71.21 -33.51 69.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.43 -35.02 75.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -53.2 56.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.534 174.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.07 -40.45 82.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.43 16.09 6.19 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.158 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -86.94 -71.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.637 0.256 . . . . 0.0 110.882 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.485 HD13 ' NE2' ' A' 1148 ' ' GLN . 8.7 mt 51.55 -174.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.814 -173.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.94 92.27 38.42 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.285 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.52 21.87 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.061 2.507 . . . . 0.0 113.451 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 8.0 mp -77.48 109.78 10.56 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 5.5 Cg_endo -87.42 134.4 3.43 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.161 2.574 . . . . 0.0 112.873 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -98.85 -31.23 6.39 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -166.11 174.39 9.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.95 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1083 ' ' THR . . . . . 0.575 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 25.5 p -70.32 163.92 25.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.829 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.45 -43.1 98.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.793 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.575 ' OE1' ' HB ' ' A' 1083 ' ' THR . 1.5 pm0 -63.92 -27.13 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 111.127 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1086 ' ' LYS . . . . . 0.521 ' NZ ' ' HB3' ' A' 1086 ' ' LYS . 7.8 mtpm? -79.89 -41.98 25.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 0.0 110.293 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 8.6 t -67.15 -35.43 79.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.976 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.9 p -69.56 -30.08 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -71.3 -45.05 63.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.711 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.94 -34.42 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.091 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.839 HD21 HD13 ' A' 1203 ' ' LEU . 26.1 tp -60.84 -53.0 62.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 175.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -66.9 -31.15 77.33 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.555 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -65.55 -45.08 84.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.322 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.7 m -65.53 -33.49 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.221 0.534 . . . . 0.0 109.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.718 HG22 ' HB3' ' A' 1196 ' ' LEU . 51.6 m -57.77 -51.67 68.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.814 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -60.12 -36.38 77.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.21 40.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.598 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.6 p -73.04 -23.79 20.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.271 -177.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.6 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.73 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 25.1 m -72.21 -35.91 69.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.172 0.51 . . . . 0.0 110.14 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.55 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' 1098 ' ' VAL . 14.2 pt -61.74 -36.99 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.352 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.69 90.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.981 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.8 -22.57 56.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.758 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.432 HD12 ' HE3' ' A' 1050 ' ' MET . 41.4 tp -57.28 -25.45 59.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.489 0.316 . . . . 0.0 111.327 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.871 ' HG ' ' HG ' ' A' 1185 ' ' LEU . 10.3 mp -69.64 -4.9 21.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.377 177.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 81.95 35.64 20.98 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -167.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 13.7 tp10 72.82 -71.22 0.14 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.051 -1.074 . . . . 0.0 109.569 -170.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 23.8 mm -145.94 -49.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -77.85 145.6 36.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.013 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.07 121.24 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.882 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -172.72 105.44 0.21 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.064 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.89 71.56 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.494 0.664 . . . . 0.0 109.727 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -102.1 -166.76 1.32 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.207 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' 1119 ' ' ILE . 17.9 m120 -63.84 -36.97 85.66 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 110.212 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -58.0 -51.72 68.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.413 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.556 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -62.81 -36.26 82.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.831 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -63.62 -48.39 77.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.013 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' 1115 ' ' ASN . 93.7 mt -59.29 -41.53 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.38 93.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.271 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.423 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.48 -26.88 67.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1122 ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' 1122 ' ' ARG . 52.5 mtp85 -77.83 -44.35 27.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.6 -38.02 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.904 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.73 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.4 m -60.41 -46.56 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.83 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.29 95.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.69 0.281 . . . . 0.0 110.525 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.84 -41.24 98.88 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.184 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1127 ' ' GLY . . . . . 0.483 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -67.45 -44.1 84.95 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.295 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.8 mt -66.48 -41.73 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -65.47 -35.6 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.967 0.413 . . . . 0.0 110.363 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 19.3 m -74.86 -37.4 62.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.909 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -49.95 75.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.353 175.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.89 ' HB1' HD23 ' A' 1064 ' ' LEU . . . -56.25 -51.32 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.64 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.843 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 70.7 mt-30 -66.53 -34.32 77.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.893 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.27 77.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 0.0 110.78 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1135 ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' 1151 ' ' VAL . . . -65.97 -39.02 90.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.843 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 45.2 mtp180 -57.38 -46.65 83.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.469 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -56.94 -48.51 78.48 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.011 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.9 t -57.5 -46.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.48 87.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.878 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.73 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.587 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.7 mt -76.42 -35.43 58.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.366 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.578 HG21 ' HG2' ' A' 1148 ' ' GLN . 10.6 t -77.5 143.01 38.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 14.3 m -103.53 17.84 23.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.476 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.619 ' O ' ' HG3' ' A' 1148 ' ' GLN . 49.9 m-20 -108.17 108.69 61.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.54 -177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.74 67.62 2.3 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.897 2.398 . . . . 0.0 112.361 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.42 -48.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.062 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.41 ' O ' HG11 ' A' 1151 ' ' VAL . 27.3 m -78.85 -22.1 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.643 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.619 ' HG3' ' O ' ' A' 1144 ' ' ASP . 43.8 mt-30 -62.08 -47.07 86.29 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.63 -30.66 64.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.776 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -38.88 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.421 -176.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.456 HG21 ' HB1' ' A' 1135 ' ' ALA . 2.7 p -69.75 -34.67 61.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.078 0.466 . . . . 0.0 110.63 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.6 mt -76.22 -40.93 50.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 110.189 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.51 -48.5 81.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.893 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.414 ' O ' HG23 ' A' 1158 ' ' VAL . 13.8 p -64.0 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.815 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.61 89.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.504 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1156 ' ' SER . . . . . 0.54 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 63.7 m -64.24 -35.26 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.762 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' 1161 ' ' LYS . 15.7 t70 -66.46 -31.37 72.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.964 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1154 ' ' THR . 94.5 t -61.99 -56.68 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.234 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' 1061 ' ' GLU . 1.6 pt? -78.12 -29.51 48.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.461 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' A' 1157 ' ' ASP . 0.0 OUTLIER -67.0 -31.61 72.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.955 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' 1157 ' ' ASP . 13.1 mptt -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 173.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 42.7 t -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.721 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1164 ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' 1168 ' ' GLU . 21.8 m -70.12 -19.96 63.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.651 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' 1162 ' ' ALA . 48.0 tp -71.91 -45.85 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.431 HG12 HD21 ' A' 1105 ' ' LEU . 52.3 mt -65.3 -42.72 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' 1170 ' ' LYS . 44.7 mt-10 -67.37 -36.47 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.4 tp10 -60.56 -38.47 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.94 77.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.767 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1170 ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' 1167 ' ' GLU . 19.8 mmmt -56.98 -46.0 82.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.648 174.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -72.89 -38.44 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.12 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -56.84 -37.38 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 42.2 m -63.65 -15.95 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -81.92 -2.84 90.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.927 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.558 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 75.4 m-70 -110.93 140.05 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -83.38 44.01 1.55 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.82 2.347 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 91.03 64.33 1.19 Allowed Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -175.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.558 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 15.0 t70 -95.77 125.93 47.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.515 0.198 . . . . 0.0 110.718 -173.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.476 ' O ' ' HG2' ' A' 1183 ' ' GLN . 11.4 Cg_endo -54.67 -47.29 27.54 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.136 2.558 . . . . 0.0 112.693 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.2 -38.01 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.747 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 18.4 t -60.08 -43.39 95.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1182 ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' 1178 ' ' ASP . 54.8 mt-30 -62.28 -43.42 98.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.502 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' 1187 ' ' GLN . 29.7 mm-40 -63.4 -46.31 87.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -64.01 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.871 ' HG ' ' HG ' ' A' 1106 ' ' LEU . 30.7 tp -61.96 -38.35 88.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1186 ' ' ALA . . . . . 0.728 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -72.46 -39.32 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.327 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' 1183 ' ' GLN . 27.1 mt-30 -61.79 -45.72 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.235 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.427 HG12 HD13 ' A' 1165 ' ' LEU . 14.8 p -69.55 -30.86 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' 1106 ' ' LEU . . . -65.51 -44.52 86.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.935 0.398 . . . . 0.0 110.215 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' 1194 ' ' GLN . 9.5 mtmp? -64.27 -30.49 71.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 25.4 t -66.94 -44.01 88.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.853 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1193 ' ' THR . . . . . 0.485 ' HA ' HD13 ' A' 1196 ' ' LEU . 17.0 m -59.24 -40.58 86.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1194 ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' 1190 ' ' LYS . 70.2 mm-40 -67.85 -40.69 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.272 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.718 ' HB3' HG22 ' A' 1095 ' ' THR . 78.0 mt -55.28 -52.09 64.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.859 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.486 ' HA ' HG21 ' A' 1200 ' ' VAL . 8.3 t30 -65.99 -36.66 83.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -60.08 -35.15 74.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.699 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 31.0 t -74.71 -51.6 13.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 109.872 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' 1197 ' ' ASN . 25.6 m -66.32 -21.68 29.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.495 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 25.7 t -77.28 -37.61 52.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.564 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 82.0 m -82.4 -2.28 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.839 HD13 HD21 ' A' 1091 ' ' LEU . 79.2 mt -62.98 128.84 92.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.348 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1204 ' ' PRO . . . . . 0.714 ' HB2' HE22 ' A' 1206 ' ' GLN . 25.8 Cg_endo -62.95 103.67 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 111.063 176.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -95.01 76.2 0.9 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.52 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.714 HE22 ' HB2' ' A' 1204 ' ' PRO . 2.3 mp0 -72.3 120.63 18.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 . . . . . 0 C--O 1.251 1.184 0 O-C-N 123.843 0.714 . . . . 0.0 111.255 179.173 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 47.5 mm 62.95 86.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.359 0.599 . . . . 0.0 111.074 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.46 ' H ' ' HD2' ' A' 1043 ' ' PRO . 2.8 m-20 -95.23 -55.21 0.22 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.675 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.46 ' HD2' ' H ' ' A' 1042 ' ' ASP . 19.6 Cg_endo -62.15 107.98 0.62 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 27.5 p90 -90.94 45.01 1.22 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.475 0.655 . . . . 0.0 110.512 -175.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 55.3 p -80.61 54.45 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.797 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 156.18 121.37 0.71 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.437 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.63 -18.36 48.31 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.792 2.328 . . . . 0.0 112.143 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.16 100.45 12.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.988 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -17.91 64.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.73 ' HE2' ' HB1' ' A' 1117 ' ' ALA . 60.1 mtt -47.23 -38.42 12.2 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.331 170.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.76 -46.06 81.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.377 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 5.4 m -60.64 -46.23 91.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.46 ' O ' HG21 ' A' 1057 ' ' VAL . . . -68.62 -41.13 79.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.682 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' 1166 ' ' ILE . 66.4 tp -56.95 -42.62 80.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.68 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 35.4 t -58.12 -43.57 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.269 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' 1060 ' ' LEU . 64.3 t -64.22 -48.29 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.855 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' 1053 ' ' ALA . 65.1 t -57.19 -44.95 84.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.151 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' 1062 ' ' LYS . 76.4 mt-30 -60.4 -34.66 74.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.28 -22.89 57.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.964 0.411 . . . . 0.0 110.606 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.615 ' O ' ' HG ' ' A' 1064 ' ' LEU . 96.1 mt -76.5 -54.99 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.429 ' HB3' ' HB2' ' A' 1159 ' ' LEU . 0.5 OUTLIER -56.57 -41.01 76.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -178.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' 1058 ' ' GLN . 51.0 mttm -74.48 -24.35 59.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.527 ' O ' HG13 ' A' 1067 ' ' ILE . 23.9 t0 -71.76 -40.25 69.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' 1060 ' ' LEU . 18.9 mt -69.13 -35.87 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.705 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' 1062 ' ' LYS . 10.9 pt20 -65.42 -33.85 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.534 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.36 -44.0 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' 1064 ' ' LEU . 33.3 mt -65.06 -37.97 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.004 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 32.8 ttmt -57.65 -47.19 82.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.162 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.3 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.9 94.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.992 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' 1148 ' ' GLN . . . -72.02 -30.39 65.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.246 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.075 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1073 ' ' ASP . . . . . 0.446 ' OD1' ' HE2' ' A' 1075 ' ' LYS . 12.8 t70 -75.99 -63.51 1.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.358 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 142.1 34.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1075 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1073 ' ' ASP . 75.1 mmtt -104.6 1.04 29.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.706 0.289 . . . . 0.0 110.643 -176.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' 1071 ' ' ALA . 21.9 tp -75.68 130.67 39.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -175.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' 1140 ' ' ALA . 70.9 mmtt -75.74 115.78 49.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.532 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.491 ' HA ' ' HB3' ' A' 1140 ' ' ALA . 3.8 Cg_exo -71.23 -73.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.075 1.85 . . . . 0.0 111.213 -178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 55.3 mt 66.57 149.2 0.12 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 112.364 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -82.86 44.24 1.64 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.958 2.439 . . . . 0.0 111.963 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -79.89 79.06 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.855 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 68.99 -174.33 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.064 0.545 . . . . 0.0 111.881 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 30.4 p -94.11 157.6 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.526 ' HE2' ' HB ' ' A' 1142 ' ' THR . 46.1 ttm -72.77 -29.42 63.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -55.02 -47.61 74.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.572 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -63.62 -43.68 96.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.604 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 67.3 m -64.39 -44.18 92.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.406 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 30.5 p -69.34 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.441 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -70.3 -47.02 63.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.171 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -38.91 89.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.413 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.834 HD21 HD12 ' A' 1203 ' ' LEU . 15.2 tp -60.59 -52.56 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.746 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.445 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -57.5 -40.97 93.14 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.75 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.31 -46.41 73.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.426 ' O ' HG13 ' A' 1098 ' ' VAL . 57.6 m -59.93 -34.94 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.912 HG22 ' HB3' ' A' 1196 ' ' LEU . 87.6 m -56.65 -52.07 66.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.708 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 63.2 mttm -64.51 -36.62 84.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.8 54.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.517 HG22 HD21 ' A' 1128 ' ' LEU . 7.5 p -73.46 -24.7 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.084 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 66.3 m -63.96 -36.63 84.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.164 0.506 . . . . 0.0 110.26 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 19.7 m -70.99 -25.59 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.953 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.29 23.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.697 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.6 pt -64.45 -25.54 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.243 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.54 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.947 0.403 . . . . 0.0 110.523 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.652 ' HB2' ' HB1' ' A' 1120 ' ' ALA . 80.1 mttt -75.84 -34.73 60.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.137 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' 1120 ' ' ALA . 72.4 mt -72.55 -26.81 61.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.54 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 38.0 tp -66.74 -35.57 80.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.717 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.25 39.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.756 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.72 133.76 36.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.407 HD11 ' N ' ' A' 1109 ' ' ILE . 3.6 mp -80.28 -57.83 4.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -134.37 -12.97 2.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.942 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -153.61 145.24 23.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.496 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -139.01 -65.01 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.496 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1113 ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' 1115 ' ' ASN . 4.7 m-20 60.41 26.24 15.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.754 0.422 . . . . 0.0 110.825 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 68.5 -37.29 0.35 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.768 0.827 . . . . 0.0 111.883 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.51 ' H ' ' C ' ' A' 1113 ' ' ASN . 5.3 t-20 -53.75 -36.54 62.44 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.211 0.604 . . . . 0.0 111.922 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.23 -32.09 68.0 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.926 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.73 ' HB1' ' HE2' ' A' 1050 ' ' MET . . . -61.46 -39.46 90.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.525 . . . . 0.0 110.237 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -79.91 -34.43 30.65 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' 1115 ' ' ASN . 74.2 mt -60.45 -49.41 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.509 . . . . 0.0 109.953 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1120 ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' 1104 ' ' LYS . . . -67.98 -32.56 73.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.396 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.638 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -62.6 -37.37 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.706 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.25 -26.12 42.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.267 0.556 . . . . 0.0 109.893 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -75.52 -44.66 42.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.952 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.702 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.3 m -61.59 -41.73 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.751 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.68 -43.12 72.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.3 -47.27 86.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.161 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.08 94.17 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.35 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' 1124 ' ' VAL . 73.0 mt -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' 1125 ' ' ALA . 36.9 mtm180 -61.75 -53.03 61.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -59.36 -39.55 83.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.703 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.411 HD22 HD13 ' A' 1091 ' ' LEU . 1.2 tm? -58.57 -53.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.994 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' 1064 ' ' LEU . . . -57.55 -53.41 58.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.248 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.751 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 15.5 mm100 -64.66 -34.54 78.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.03 85.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1135 ' ' ALA . . . . . 0.447 ' HB3' HG21 ' A' 1151 ' ' VAL . . . -67.36 -36.93 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.751 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 19.9 mtp180 -59.41 -44.53 92.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.461 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.63 -47.53 90.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.875 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 76.5 t -54.23 -46.22 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.734 0.302 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.38 -45.48 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.061 -177.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' 1078 ' ' PRO . . . -73.49 -27.2 61.26 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.348 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 96.9 mt -75.36 -41.99 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.566 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.567 HG21 HG13 ' A' 1147 ' ' VAL . 9.7 t -70.21 147.33 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 110.724 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 6.3 p -98.47 -0.08 44.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.051 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.8 t70 -83.54 114.35 52.93 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -77.6 65.46 8.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.581 2.187 . . . . 0.0 111.693 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -174.01 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.962 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.567 HG13 HG21 ' A' 1142 ' ' THR . 2.2 t -59.44 -36.19 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.644 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.5 mt-30 -52.43 -46.76 66.51 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.77 62.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.631 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -70.38 -33.46 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' 1148 ' ' GLN . 43.0 mt -78.37 -41.05 34.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.235 0.54 . . . . 0.0 110.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1153 ' ' ASP . . . . . 0.651 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 30.3 t70 -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.881 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.536 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 17.5 p -68.54 -41.71 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.044 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.96 94.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.747 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -68.85 -30.3 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.936 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.25 -40.17 93.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 97.9 t -59.31 -46.75 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.388 174.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' 1061 ' ' GLU . 12.1 mt -71.07 -31.58 68.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.81 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -40.98 73.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.522 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -79.8 -39.35 31.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.641 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.12 91.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.448 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 47.7 m -59.7 -44.78 93.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.014 0.435 . . . . 0.0 110.167 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1164 ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' 1168 ' ' GLU . 16.5 m -69.95 -25.25 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.231 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.11 -49.62 66.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.561 ' HB ' HD13 ' A' 1054 ' ' LEU . 63.9 mt -67.99 -42.27 85.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.583 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.69 -38.02 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.187 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' 1164 ' ' SER . 6.1 tp10 -57.39 -47.22 82.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1169 ' ' ALA . . . . . 0.588 ' HB1' HD13 ' A' 1185 ' ' LEU . . . -67.41 -33.63 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.62 -41.69 91.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.79 -43.36 75.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.416 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.34 71.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 46.5 t -62.96 -20.09 64.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -85.67 -3.35 86.24 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.149 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.461 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 74.9 m-70 -99.37 135.63 20.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 6.1 Cg_exo -79.69 35.18 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.595 2.863 . . . . 0.0 112.379 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 104.27 91.86 2.23 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -134.64 119.04 13.76 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -174.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.597 ' O ' ' HG2' ' A' 1182 ' ' GLN . 36.3 Cg_endo -65.23 -29.58 55.23 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.999 2.466 . . . . 0.0 112.902 -177.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.99 -35.02 62.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.076 0.465 . . . . 0.0 110.367 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 29.9 m -64.25 -40.35 95.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.128 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1182 ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' 1179 ' ' PRO . 3.8 pt20 -70.95 -24.06 62.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.685 0.279 . . . . 0.0 110.504 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' 1179 ' ' PRO . 99.3 mt-30 -67.38 -34.81 78.06 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 109.755 176.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -63.49 -41.48 98.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.588 HD13 ' HB1' ' A' 1169 ' ' ALA . 4.0 mm? -60.95 -42.33 98.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1186 ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -60.13 -42.01 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.5 -51.27 61.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.381 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.501 ' O ' HG22 ' A' 1192 ' ' VAL . 12.0 p -71.87 -33.69 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.626 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 92.99 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 110.609 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' 1194 ' ' GLN . 97.3 mttt -70.07 -34.48 73.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.15 82.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' 1188 ' ' VAL . 49.8 t -61.41 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.853 175.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 29.1 m -60.45 -38.98 85.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1194 ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' 1190 ' ' LYS . 30.1 mm-40 -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.497 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' 1198 ' ' ARG . . . -60.93 -41.72 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.912 ' HB3' HG22 ' A' 1095 ' ' THR . 76.7 mt -62.34 -47.91 82.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.688 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.08 -32.21 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 109.701 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1198 ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' 1195 ' ' ALA . 34.7 ttm180 -63.32 -32.93 74.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.398 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1199 ' ' CYS . . . . . 0.536 ' SG ' ' HB ' ' A' 1154 ' ' THR . 91.4 m -73.29 -51.94 15.72 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.541 -177.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.408 ' HA ' ' CD1' ' A' 1203 ' ' LEU . 24.4 m -69.53 -21.96 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.244 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.1 t -73.07 -42.78 62.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.0 p -80.4 -4.85 55.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.791 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.834 HD12 HD21 ' A' 1091 ' ' LEU . 97.2 mt -64.97 134.05 95.95 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.688 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.04 58.56 4.96 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.108 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -89.56 41.61 3.0 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.526 ' HG3' ' HG3' ' A' 1207 ' ' ARG . 4.0 pt20 -90.5 179.23 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.613 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.526 ' HG3' ' HG3' ' A' 1206 ' ' GLN . 92.3 mtt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.502 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.676 -0.169 . . . . 0.0 112.676 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 27.7 mt -91.91 -20.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.282 0.563 . . . . 0.0 109.627 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.27 137.74 84.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.305 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.16 106.38 0.67 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.32 2.014 . . . . 0.0 110.134 171.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 65.5 t80 -114.77 -21.64 10.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 -172.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 42.0 p 46.31 47.86 13.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.68 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -148.33 90.16 0.14 Allowed Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.422 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.89 -39.27 31.87 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.527 2.818 . . . . 0.0 113.419 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 93.4 mt -120.52 115.32 23.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.33 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.56 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 19.1 mm-40 -57.42 -29.3 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.251 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.582 ' HE1' ' HB2' ' A' 1117 ' ' ALA . 55.3 mtt -65.83 -34.83 79.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.89 -40.5 63.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.765 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 9.0 p -69.66 -40.05 76.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.483 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.506 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.471 ' HA ' HG12 ' A' 1057 ' ' VAL . 47.7 tp -61.0 -41.67 96.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.351 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 22.2 t -60.52 -43.19 97.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' 1060 ' ' LEU . 97.9 t -62.52 -52.08 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.088 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.5 p -64.73 -33.59 64.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -175.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.553 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 42.6 mt-30 -67.27 -33.73 75.94 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.903 0.383 . . . . 0.0 110.772 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -71.95 -29.77 64.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.865 0.364 . . . . 0.0 110.555 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.8 mt -72.21 -48.68 41.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.743 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.772 ' HB3' HD13 ' A' 1159 ' ' LEU . 9.3 pt-20 -61.88 -46.68 88.35 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.957 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.632 ' HB3' ' HZ2' ' A' 1062 ' ' LYS . 10.0 mtpm? -56.91 -41.36 78.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.756 0.313 . . . . 0.0 111.257 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.402 ' OD2' HD13 ' A' 1067 ' ' ILE . 20.7 t70 -64.5 -47.96 76.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.288 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.716 HD11 HD23 ' A' 1159 ' ' LEU . 31.4 mt -67.57 -29.43 68.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.9 mt-30 -61.76 -38.03 86.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.05 -44.89 36.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.399 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.643 HD11 HD22 ' A' 1064 ' ' LEU . 96.5 mt -59.64 -38.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' 1152 ' ' LEU . 38.2 ttpt -65.93 -41.5 91.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.604 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.77 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.507 . . . . 0.0 109.968 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.83 78.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.675 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.415 ' HA ' ' HG ' ' A' 1076 ' ' LEU . . . -63.62 -41.73 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.997 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -65.07 -40.57 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.485 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.77 -26.73 37.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 111.554 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 99.05 31.78 6.11 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.263 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.98 13.9 31.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.454 ' O ' ' HD3' ' A' 1078 ' ' PRO . 80.1 mt -70.7 169.58 14.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 175.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -102.63 96.61 7.73 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' 1076 ' ' LEU . 4.2 Cg_endo -84.17 27.17 0.62 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.064 2.509 . . . . 0.0 112.77 -172.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 8.5 mp -78.2 111.25 17.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 1.5 Cg_endo -84.36 50.46 3.03 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.614 2.876 . . . . 0.0 112.552 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -61.8 -55.58 27.63 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.61 136.03 35.39 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 25.4 p -81.43 155.82 25.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.118 0.485 . . . . 0.0 111.884 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 53.2 ttm -58.62 -30.54 67.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.015 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.19 -43.84 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -72.52 -40.99 66.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' 1091 ' ' LEU . 78.9 m -60.56 -44.56 96.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 37.1 p -72.11 -38.53 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.46 -50.62 66.79 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.17 -27.61 63.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.171 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.586 HD22 HD13 ' A' 1203 ' ' LEU . 22.9 tp -60.99 -52.52 64.66 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -60.09 -38.76 94.83 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.044 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -63.25 -46.96 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.546 0.212 . . . . 0.0 110.661 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.417 ' O ' HG12 ' A' 1098 ' ' VAL . 49.8 m -63.9 -35.9 82.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.561 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.903 HG22 ' HB3' ' A' 1196 ' ' LEU . 90.4 m -55.78 -55.48 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.551 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.22 79.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.08 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.391 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.461 HG21 HD23 ' A' 1128 ' ' LEU . 8.4 p -73.11 -23.18 19.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.92 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.7 m -63.52 -35.74 81.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.016 0.436 . . . . 0.0 110.437 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 22.6 t -75.31 -35.39 61.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.226 0.536 . . . . 0.0 109.766 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -64.49 -46.69 81.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.52 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' 1106 ' ' LEU . 33.3 pt -64.95 -25.61 38.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.069 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.91 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 110.777 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -75.98 -33.16 59.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.322 0.582 . . . . 0.0 109.985 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.537 HD13 ' HE3' ' A' 1050 ' ' MET . 21.2 tp -67.91 -24.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.55 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' 1102 ' ' ILE . 51.4 mt -54.6 -29.57 52.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.513 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 67.18 74.03 0.6 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 162.46 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 7.1 tp -51.68 106.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 122.012 0.911 . . . . 0.0 111.842 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -165.06 -175.97 3.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.369 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -102.63 99.15 9.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 111.415 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 94.68 -28.86 10.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.063 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 65.8 t30 61.39 42.24 11.89 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -172.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -60.76 129.94 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.178 -1.373 . . . . 0.0 112.1 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' 1119 ' ' ILE . 16.1 m120 72.78 -39.61 0.45 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.174 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -57.92 -36.38 72.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.582 ' HB2' ' HE1' ' A' 1050 ' ' MET . . . -53.35 -45.58 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.965 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1118 ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -76.66 -40.82 25.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' 1115 ' ' ASN . 82.3 mt -58.57 -48.99 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.969 0.414 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.52 78.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.461 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.13 -35.34 79.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 111.091 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -73.89 -32.58 63.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.099 0.476 . . . . 0.0 110.191 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 23.1 t70 -78.22 -36.26 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.323 -174.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.739 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.7 m -62.4 -42.81 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.245 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' 1129 ' ' ARG . . . -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.43 94.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.302 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.46 -37.61 79.04 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.933 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' 1124 ' ' VAL . 64.4 mt -73.94 -37.14 64.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' 1125 ' ' ALA . 10.0 ptm180 -67.08 -38.32 85.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.503 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.7 m -69.51 -36.57 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.177 0.513 . . . . 0.0 109.909 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.491 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -61.38 -52.76 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.561 176.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.442 ' HB1' HD23 ' A' 1064 ' ' LEU . . . -56.87 -45.91 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.759 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.44 -43.16 97.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.673 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.91 75.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.05 71.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.722 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.407 ' HA ' HD21 ' A' 1152 ' ' LEU . 33.7 ptt180 -67.83 -23.74 65.2 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.71 0.29 . . . . 0.0 110.761 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.528 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.25 -49.01 49.01 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 69.3 t -53.56 -45.88 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.13 93.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.102 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.82 -26.37 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.466 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' 1137 ' ' GLY . 89.8 mt -79.89 -37.36 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.429 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.459 HG22 HG21 ' A' 1147 ' ' VAL . 9.0 t -80.56 150.19 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.776 0.322 . . . . 0.0 110.414 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 p -111.85 4.31 18.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 11.2 t70 -80.2 118.93 74.79 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -72.96 67.19 4.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.843 2.362 . . . . 0.0 112.048 178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1146 ' ' ALA . . . . . 0.4 ' HB2' ' OD2' ' A' 1144 ' ' ASP . . . -169.19 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.408 176.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.581 ' O ' HG11 ' A' 1151 ' ' VAL . 18.8 m -66.02 -28.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.239 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.582 ' O ' ' HG ' ' A' 1152 ' ' LEU . 48.9 mt-30 -54.18 -52.11 62.23 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.335 0.588 . . . . 0.0 110.463 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.59 -34.15 60.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.564 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -38.43 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.581 HG11 ' O ' ' A' 1147 ' ' VAL . 5.1 p -69.79 -36.12 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 0.0 110.494 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.8 mt -76.71 -42.69 40.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.94 -41.76 83.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.411 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.535 ' O ' HG22 ' A' 1158 ' ' VAL . 4.6 p -70.74 -44.94 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.243 -0.183 . . . . 0.0 111.019 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.08 96.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.195 0.521 . . . . 0.0 110.856 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 19.0 t -66.48 -37.19 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.902 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.1 -34.77 78.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 110.357 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' 1154 ' ' THR . 93.5 t -57.85 -62.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.623 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' 1061 ' ' GLU . 2.9 pp -67.21 -29.38 69.02 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.49 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.549 ' N ' HD12 ' A' 1159 ' ' LEU . 24.1 t70 -54.97 -47.33 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 110.451 174.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -77.68 -35.22 52.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1162 ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' 1159 ' ' LEU . . . -67.72 -35.5 78.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 0.0 111.61 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 10.1 t -63.8 -40.54 96.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -71.59 -30.54 65.95 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.732 ' HG ' HG12 ' A' 1188 ' ' VAL . 0.5 OUTLIER -61.61 -48.55 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.89 -48.69 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.968 175.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.657 ' HB3' ' HE2' ' A' 1171 ' ' LYS . 10.8 mm-40 -65.46 -52.3 54.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.803 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.42 -34.27 64.28 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.417 0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1169 ' ' ALA . . . . . 0.643 ' HA ' HD22 ' A' 1185 ' ' LEU . . . -56.64 -53.33 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.174 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1170 ' ' LYS . . . . . 0.697 ' HZ1' ' HB2' ' A' 1170 ' ' LYS . 10.6 mtmp? -70.65 -24.69 62.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.192 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.657 ' HE2' ' HB3' ' A' 1167 ' ' GLU . 64.2 mttm -77.66 -45.94 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.484 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1172 ' ' ALA . . . . . 0.848 ' HB3' ' HA ' ' A' 1181 ' ' SER . . . -64.7 -58.38 6.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.108 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 53.8 p -74.87 105.32 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 145.1 -9.14 1.74 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.556 -176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' 1176 ' ' PRO . 97.4 m-70 -75.74 161.81 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' 1175 ' ' HIS . 55.5 Cg_endo -67.17 86.99 0.31 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.372 2.048 . . . . 0.0 111.236 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 74.67 97.85 0.1 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.426 ' HB2' ' HB2' ' A' 1181 ' ' SER . 0.9 OUTLIER -115.38 84.75 12.15 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -174.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.31 -18.97 15.6 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.064 1.843 . . . . 0.0 109.96 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.38 -14.19 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.445 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1181 ' ' SER . . . . . 0.848 ' HA ' ' HB3' ' A' 1172 ' ' ALA . 44.9 t -58.21 -50.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.319 -174.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.65 -28.94 67.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.111 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' 1187 ' ' GLN . 4.7 tt0 -72.13 -49.2 37.86 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 120.786 0.327 . . . . 0.0 110.277 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' 1184 ' ' ARG . 2.8 mmp_? -52.05 -47.79 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.984 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' 1169 ' ' ALA . 46.6 mt -70.38 -40.68 73.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.955 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1186 ' ' ALA . . . . . 0.475 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -60.65 -35.11 75.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.628 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.9 mt-30 -73.46 -50.15 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.732 HG12 ' HG ' ' A' 1165 ' ' LEU . 8.4 p -69.58 -32.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.549 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.575 ' CB ' HD23 ' A' 1106 ' ' LEU . . . -62.66 -40.77 98.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.26 -31.77 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.838 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.9 96.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.05 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.569 HG21 HD11 ' A' 1165 ' ' LEU . 52.5 t -64.0 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 26.0 m -57.81 -45.38 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -69.69 -38.7 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.726 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.903 ' HB3' HG22 ' A' 1095 ' ' THR . 59.6 mt -58.11 -49.55 76.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.374 0.607 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.919 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.54 -28.85 65.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 12.8 t -73.16 -47.02 47.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.4 m -71.31 -22.7 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.389 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 35.3 t -77.63 -35.94 52.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.038 0.447 . . . . 0.0 110.82 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 86.3 m -86.06 -0.94 56.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.636 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.586 HD13 HD22 ' A' 1091 ' ' LEU . 65.0 mt -56.98 120.37 37.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.425 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1204 ' ' PRO . . . . . 0.425 ' HB3' HG11 ' A' 1147 ' ' VAL . 60.5 Cg_endo -75.13 139.85 24.44 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.768 2.312 . . . . 0.0 112.013 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -86.35 62.69 4.27 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.587 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 63.79 92.77 0.06 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.274 0.559 . . . . 0.0 110.747 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.431 ' NH2' HG13 ' A' 1147 ' ' VAL . 8.5 mtm180 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.81 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1041 ' ' ILE . . . . . 0.465 ' O ' HD12 ' A' 1041 ' ' ILE . 0.2 OUTLIER -75.35 -33.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.283 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1042 ' ' ASP . . . . . 0.793 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 18.9 t70 -92.41 -59.05 0.22 Allowed Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 175.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 4.9 Cg_exo -80.12 103.35 1.53 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.263 1.976 . . . . 0.0 111.358 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -156.57 75.74 0.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1045 ' ' THR . . . . . 0.471 ' HA ' ' CD1' ' A' 1048 ' ' LEU . 12.9 p -120.74 -21.1 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 177.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -57.51 -62.26 6.54 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.812 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.23 24.86 0.59 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.093 2.528 . . . . 0.0 113.321 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1048 ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' 1051 ' ' ASP . 21.6 mt -84.59 26.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.26 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.37 -27.81 67.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.74 0.781 . . . . 0.0 109.409 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.673 ' HB3' HG23 ' A' 1166 ' ' ILE . 62.3 mtt -78.11 -30.64 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.742 176.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1051 ' ' ASP . . . . . 0.519 ' HB2' HD22 ' A' 1048 ' ' LEU . 20.8 t70 -60.42 -41.38 93.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.393 -172.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 19.5 m -58.81 -39.57 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.461 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' 1125 ' ' ALA . . . -76.09 -37.29 58.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.141 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.46 ' HB2' HG21 ' A' 1166 ' ' ILE . 64.3 tp -58.5 -40.6 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.784 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 41.6 t -56.95 -44.73 82.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 48.5 t -61.73 -46.99 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.341 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.568 HG13 HD11 ' A' 1159 ' ' LEU . 86.2 t -55.7 -49.1 76.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.059 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.8 -34.65 65.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.743 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.25 -45.74 31.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.637 0.256 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' 1064 ' ' LEU . 93.8 mt -57.91 -47.3 83.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.505 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' 1065 ' ' GLN . 8.1 pt-20 -61.71 -44.37 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.852 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.483 ' HA ' ' OE1' ' A' 1065 ' ' GLN . 65.1 mttp -64.72 -36.31 83.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.478 ' O ' HG13 ' A' 1067 ' ' ILE . 30.5 t70 -60.4 -48.81 80.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.333 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' 1132 ' ' ALA . 17.1 mt -66.93 -25.44 66.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.0 mt-30 -67.55 -35.82 79.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.046 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.07 -39.24 60.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.153 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.482 HG23 HD11 ' A' 1152 ' ' LEU . 59.0 mt -66.26 -33.26 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.313 178.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1068 ' ' LYS . . . . . 0.577 ' HA ' HD13 ' A' 1152 ' ' LEU . 39.9 ttpt -65.18 -36.05 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.145 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1069 ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' 1072 ' ' ARG . . . -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.031 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1070 ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -60.42 -29.45 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.241 176.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.89 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' 1069 ' ' ALA . 0.0 OUTLIER -67.08 -36.48 82.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -178.474 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -78.18 -17.52 56.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.167 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 77.13 38.33 30.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.542 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1075 ' ' LYS . . . . . 0.465 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 98.8 mttt -95.62 -6.7 39.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' 1076 ' ' LEU . 38.7 mt -70.99 117.14 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.533 . . . . 0.0 111.213 -176.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.817 ' HB2' HD11 ' A' 1079 ' ' LEU . 30.9 mmmt -125.3 163.46 38.09 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.925 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -78.21 30.41 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.898 2.399 . . . . 0.0 112.587 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' 1077 ' ' LYS . 9.4 mp -50.95 -41.52 73.78 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.943 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -44.71 -40.99 14.7 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.176 1.917 . . . . 0.0 112.744 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 80.98 -3.08 78.16 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.314 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -88.19 151.5 22.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.714 0.293 . . . . 0.0 110.931 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 59.6 p -76.43 156.84 32.79 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.078 177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.4 ttm -63.65 -26.82 68.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.147 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.406 ' OE2' ' HD3' ' A' 1207 ' ' ARG . 39.5 mm-40 -61.51 -55.78 27.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -65.77 -38.88 90.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.829 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.401 ' O ' ' HB1' ' A' 1134 ' ' ALA . 70.9 m -60.57 -51.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.282 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 32.5 p -68.05 -39.12 83.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 111.057 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -64.4 -53.13 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.868 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.72 -28.51 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.743 HD21 HD12 ' A' 1203 ' ' LEU . 12.9 tp -61.38 -50.6 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.558 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -64.44 -40.08 97.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.158 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -64.42 -40.21 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.773 -0.251 . . . . 0.0 111.076 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.5 m -64.84 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.602 HG22 ' HB3' ' A' 1196 ' ' LEU . 97.4 m -58.91 -49.39 77.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.45 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' 1092 ' ' GLY . 57.4 mttm -57.93 -42.39 84.75 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.54 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.572 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.427 ' HA ' ' HB3' ' A' 1101 ' ' ALA . 13.3 p -69.73 -22.83 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 29.8 t -58.65 -45.48 89.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.25 0.548 . . . . 0.0 110.19 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -74.46 -29.77 61.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.049 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -65.45 -50.76 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.465 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.54 -31.29 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.312 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.23 98.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 110.761 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -75.65 -24.3 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.17 -25.79 63.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.003 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' 1186 ' ' ALA . 8.7 mp -63.47 97.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 176.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -107.19 160.18 14.27 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.387 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -106.86 -45.14 4.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 6.9 tp -159.16 142.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.898 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -96.04 86.9 4.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.09 0.471 . . . . 0.0 109.889 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -98.06 -49.17 4.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.102 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 151.56 -16.55 0.85 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.804 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -92.79 -6.18 49.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.456 0.646 . . . . 0.0 109.503 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -93.97 108.41 20.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.217 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.86 -33.7 19.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.971 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -65.96 -27.72 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.277 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.88 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.37 -45.39 8.09 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.633 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -52.53 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.522 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1120 ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' 1123 ' ' ASP . . . -71.39 -27.83 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.102 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.656 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -62.41 -40.49 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 110.299 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -34.02 47.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1123 ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' 1120 ' ' ALA . 27.9 t0 -65.06 -41.51 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.275 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.412 ' HA ' HG23 ' A' 1098 ' ' VAL . 24.5 m -63.9 -40.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.232 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' 1053 ' ' ALA . . . -63.66 -36.2 83.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.48 -45.07 96.95 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.976 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.95 -44.11 92.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.633 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.476 ' HG ' ' CB ' ' A' 1159 ' ' LEU . 0.2 OUTLIER -61.14 -47.17 87.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.569 ' O ' ' HG3' ' A' 1133 ' ' GLN . 3.9 ptm180 -65.15 -38.13 89.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.609 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.0 m -70.2 -35.62 74.04 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.082 0.468 . . . . 0.0 109.941 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.442 HD12 HD12 ' A' 1091 ' ' LEU . 0.6 OUTLIER -58.06 -49.18 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.35 176.009 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.585 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -58.63 -45.76 88.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.562 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.3 mt-30 -56.49 -48.33 77.39 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.14 0.495 . . . . 0.0 110.951 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' 1087 ' ' CYS . . . -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.313 -176.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.27 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.439 ' HG2' HD13 ' A' 1067 ' ' ILE . 23.9 mtp180 -59.61 -43.44 93.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.35 -51.2 60.23 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.208 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.38 -48.15 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.46 84.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.703 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' 1077 ' ' LYS . . . -73.13 -30.88 63.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.273 0.559 . . . . 0.0 111.457 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1137 ' ' GLY . 91.5 mt -81.15 -35.71 31.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.106 -174.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.456 HG22 HG23 ' A' 1147 ' ' VAL . 10.2 t -79.41 152.72 30.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.155 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 42.3 p -112.0 3.92 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 0.0 110.513 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' 1148 ' ' GLN . 8.0 m-20 -76.64 115.88 51.73 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.76 66.86 8.07 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.632 2.221 . . . . 0.0 112.833 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.38 -54.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.503 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' 1151 ' ' VAL . 18.5 m -60.42 -28.63 42.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 176.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.621 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.5 mt-30 -55.38 -52.46 63.47 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-O 121.2 0.524 . . . . 0.0 110.338 176.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.39 -31.71 62.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.774 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.752 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' 1147 ' ' VAL . 4.3 p -68.39 -36.1 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.159 0.504 . . . . 0.0 110.568 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' 1148 ' ' GLN . 36.1 mt -76.86 -41.12 45.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.49 -48.13 82.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.615 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.508 ' O ' HG22 ' A' 1158 ' ' VAL . 17.2 p -66.16 -43.84 85.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.947 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.22 93.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.2 t -64.41 -30.2 71.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.497 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.403 ' CG ' ' HZ3' ' A' 1161 ' ' LYS . 23.2 t70 -75.04 -32.61 61.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.332 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' 1154 ' ' THR . 76.1 t -55.0 -57.53 6.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.451 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.568 HD11 HG13 ' A' 1057 ' ' VAL . 1.7 pt? -75.76 -29.48 58.85 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.289 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.53 -39.88 77.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.15 0.5 . . . . 0.0 110.096 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.699 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.2 mptt -66.63 -47.43 72.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.205 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.59 69.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.681 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 15.1 t -62.64 -43.67 98.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 41.9 m -61.83 -34.33 75.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.636 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.456 ' HG ' ' CG1' ' A' 1188 ' ' VAL . 3.6 mt -58.92 -49.86 76.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.266 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' 1050 ' ' MET . 68.7 mt -64.47 -49.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.049 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 1170 ' ' LYS . 45.9 mt-10 -62.92 -48.19 80.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.487 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -68.26 -31.48 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.847 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.42 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.554 0.216 . . . . 0.0 111.116 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1170 ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' 1167 ' ' GLU . 20.6 pttm -70.25 -25.04 63.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.059 0.457 . . . . 0.0 110.276 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' 1171 ' ' LYS . 9.5 mmpt? -80.76 -42.14 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.106 0.479 . . . . 0.0 110.01 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.46 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.209 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 56.5 p -71.5 -14.01 61.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.021 0.438 . . . . 0.0 110.729 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -80.97 -7.78 88.2 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 66.7 m170 -88.27 155.03 51.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.29 40.7 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.911 2.407 . . . . 0.0 113.299 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 84.01 59.32 2.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.388 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.43 119.42 65.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.55 ' O ' ' HG3' ' A' 1183 ' ' GLN . 26.5 Cg_endo -62.06 -38.0 60.1 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.825 2.35 . . . . 0.0 112.731 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.15 -28.38 63.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.17 -174.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 23.3 m -63.11 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.109 0.481 . . . . 0.0 110.012 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.57 -38.28 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.096 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' 1179 ' ' PRO . 68.4 mt-30 -60.91 -37.38 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.859 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' 1188 ' ' VAL . 30.9 mtm-85 -67.78 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.78 -40.05 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.069 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1186 ' ' ALA . . . . . 0.444 ' HA ' HD22 ' A' 1106 ' ' LEU . . . -64.5 -34.04 77.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.685 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.494 ' OE1' ' HA ' ' A' 1184 ' ' ARG . 52.8 mt-30 -65.78 -37.57 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' 1184 ' ' ARG . 8.9 t -70.78 -46.45 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.36 74.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.81 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.19 -39.24 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.617 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -67.92 -43.91 78.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' 1161 ' ' LYS . 76.2 t -58.03 -41.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.982 0.42 . . . . 0.0 110.209 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 17.8 m -59.89 -38.49 82.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.704 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.3 -36.07 61.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.413 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.602 ' HB3' HG22 ' A' 1095 ' ' THR . 74.6 mt -55.43 -52.26 64.17 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.91 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.464 ' HA ' HG21 ' A' 1200 ' ' VAL . 8.8 t30 -61.92 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.016 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -60.93 -37.11 81.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.537 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 22.8 t -76.46 -49.53 16.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.464 HG21 ' HA ' ' A' 1197 ' ' ASN . 21.0 m -66.98 -25.32 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.703 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.34 -34.74 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.168 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 27.5 p -81.45 -1.51 46.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.727 0.298 . . . . 0.0 111.388 -176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.743 HD12 HD21 ' A' 1091 ' ' LEU . 81.1 mt -63.83 132.41 95.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.01 93.24 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.295 1.997 . . . . 0.0 111.592 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -69.96 -27.62 72.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.518 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -81.73 115.48 20.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' 1085 ' ' GLU . 27.3 mtm180 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.732 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1041 ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' 1041 ' ' ILE . 21.7 pt -105.13 103.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.274 0.559 . . . . 0.0 110.901 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -70.36 -49.45 16.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.571 ' HG3' ' HA ' ' A' 1176 ' ' PRO . 73.7 Cg_endo -77.28 84.85 1.88 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.467 1.445 . . . . 0.0 110.537 169.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 46.0 p90 -85.41 17.22 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.357 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1045 ' ' THR . . . . . 0.431 ' HA ' ' HG3' ' A' 1114 ' ' GLU . 15.3 p -86.63 -95.0 0.09 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.705 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 53.54 60.4 8.3 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.655 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1047 ' ' PRO . . . . . 0.441 ' C ' ' H ' ' A' 1049 ' ' GLU . 55.2 Cg_endo -70.7 -36.54 8.15 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.265 1.977 . . . . 0.0 112.613 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 87.2 mt 70.99 -36.23 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.337 0.655 . . . . 0.0 112.242 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' 1047 ' ' PRO . 33.1 tt0 -54.45 -24.9 22.06 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.278 0.631 . . . . 0.0 111.972 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.8 ' HE2' ' HB2' ' A' 1117 ' ' ALA . 61.0 mtt -55.9 -32.71 63.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.231 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1051 ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' 1054 ' ' LEU . 18.5 t70 -68.21 -34.96 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.802 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 8.2 t -69.72 -38.07 76.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.002 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -67.1 -35.17 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.254 0.55 . . . . 0.0 109.699 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.543 HD13 ' HB ' ' A' 1166 ' ' ILE . 56.7 tp -61.43 -36.71 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.8 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 68.1 m -55.34 -37.78 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.405 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.0 t -65.63 -45.32 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.005 176.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 43.1 t -63.08 -41.23 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.557 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 74.2 mt-30 -58.42 -39.22 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.227 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -68.65 -30.96 69.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' 1056 ' ' VAL . 89.0 mt -75.25 -44.64 44.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.68 ' HB2' HD12 ' A' 1159 ' ' LEU . 7.5 pt-20 -63.34 -38.38 90.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.743 0.306 . . . . 0.0 111.258 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.5 -25.95 62.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -71.39 -51.28 24.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.649 HD13 HD21 ' A' 1159 ' ' LEU . 15.7 mt -67.51 -27.85 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.332 -173.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -67.2 -35.97 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.762 0.315 . . . . 0.0 110.62 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.396 0.617 . . . . 0.0 110.208 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' 1136 ' ' ARG . 66.2 mt -66.14 -35.12 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.521 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -57.47 -45.51 84.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.477 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.16 82.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.92 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1071 ' ' ALA . . . . . 0.471 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -64.86 -40.2 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' 1072 ' ' ARG . 10.1 tpt180 -58.35 -54.04 51.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.594 176.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.73 -23.32 62.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.81 34.34 6.93 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.071 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -109.75 14.02 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1076 ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' 1071 ' ' ALA . 58.3 mt -71.4 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.425 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 31.7 mmmt -83.28 103.99 3.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1077 ' ' LYS . 3.0 Cg_exo -72.67 -5.96 18.15 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.899 2.399 . . . . 0.0 113.194 -169.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.09 82.91 18.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.106 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -92.57 21.8 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.119 2.546 . . . . 0.0 112.702 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 83.1 -55.39 5.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.383 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.39 148.31 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.797 0.332 . . . . 0.0 110.414 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 24.3 p -87.45 166.37 14.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.614 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 49.7 ttm -66.41 -29.33 69.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 110.57 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.28 -34.35 77.92 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.879 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.81 -50.03 18.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.227 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' 1084 ' ' MET . 4.8 p -69.52 -44.8 70.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 31.8 p -61.24 -38.22 85.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.239 0.542 . . . . 0.0 110.86 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.34 -44.89 70.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1090 ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' 1130 ' ' SER . 35.6 t70 -66.24 -32.59 74.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.957 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.899 HD21 HD13 ' A' 1203 ' ' LEU . 18.2 tp -59.55 -46.23 89.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.024 0.44 . . . . 0.0 110.026 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -63.92 -38.39 96.01 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.103 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1093 ' ' ASN . . . . . 0.533 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 96.5 m-20 -66.64 -43.22 85.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.679 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.538 ' O ' HG11 ' A' 1098 ' ' VAL . 16.2 m -61.9 -38.9 90.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.875 HG22 ' HB3' ' A' 1196 ' ' LEU . 54.8 m -54.22 -54.65 37.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.489 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1096 ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 59.0 pttt -70.55 -36.9 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.48 -54.71 40.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.861 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.541 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.6 p -73.99 -23.31 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.021 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.2 m -69.78 -32.61 71.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.6 m -75.19 -29.91 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.538 . . . . 0.0 109.803 172.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.547 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -69.91 -46.2 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.242 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.26 -26.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.19 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.547 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 52.6 mtmt -69.68 -29.75 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.68 -33.29 74.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.05 35.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.189 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -65.16 138.98 39.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.242 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -132.53 -38.52 1.03 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -173.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 22.9 pt -112.93 13.45 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1110 ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' 1111 ' ' GLN . . . -133.32 -155.8 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1111 ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' A' 1114 ' ' GLU . 5.9 tp60 82.01 130.88 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.813 0.816 . . . . 0.0 111.75 175.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 174.4 50.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.202 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1113 ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' 1115 ' ' ASN . 9.4 p30 -172.12 -31.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.574 -171.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.509 ' HA ' ' NE2' ' A' 1111 ' ' GLN . 1.6 mp0 72.86 -19.89 0.29 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.24 174.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' 1119 ' ' ILE . 4.1 t-20 -64.29 -37.43 87.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.34 -35.59 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.726 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.8 ' HB2' ' HE2' ' A' 1050 ' ' MET . . . -66.23 -36.1 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.06 53.82 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.427 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' 1115 ' ' ASN . 66.6 mt -60.39 -45.83 96.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.582 0.229 . . . . 0.0 110.647 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.45 89.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.312 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.558 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -69.67 -29.07 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.389 0.614 . . . . 0.0 110.613 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -76.42 -26.16 55.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.783 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.27 -42.2 38.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.735 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.812 ' O ' ' HG ' ' A' 1128 ' ' LEU . 23.2 m -58.71 -45.16 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.639 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.76 -38.28 78.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.629 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.58 -47.18 92.06 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.076 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.7 -35.32 91.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.901 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' 1124 ' ' VAL . 51.3 mt -71.7 -28.93 64.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.891 0.076 . . . . 0.0 111.119 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.639 ' HG3' ' O ' ' A' 1125 ' ' ALA . 56.7 mtt-85 -59.02 -57.7 11.94 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.469 0.652 . . . . 0.0 109.834 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1130 ' ' SER . . . . . 0.504 ' HB3' ' OD2' ' A' 1090 ' ' ASP . 13.6 m -63.87 -38.39 90.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.568 HD23 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -54.72 -53.05 60.08 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.751 177.35 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.565 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.25 -52.0 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.395 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.85 -36.83 75.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.719 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1134 ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' 1138 ' ' VAL . . . -69.54 -44.66 70.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.908 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.84 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.405 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.58 ' HB3' HD12 ' A' 1067 ' ' ILE . 14.3 ptm180 -64.99 -34.51 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.245 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -63.31 -50.06 65.64 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.584 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1138 ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' 1134 ' ' ALA . 75.5 t -55.61 -47.64 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.083 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.3 93.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.422 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' 1078 ' ' PRO . . . -75.61 -39.75 57.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 111.071 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.411 HD11 ' CA ' ' A' 1084 ' ' MET . 28.0 mt -61.59 -38.79 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.046 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.617 HG21 ' HG2' ' A' 1148 ' ' GLN . 8.5 t -78.04 135.5 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.626 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 m -98.84 21.49 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' 1148 ' ' GLN . 27.5 m-20 -108.67 110.31 61.3 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.427 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.66 71.65 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.496 2.797 . . . . 0.0 112.496 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.15 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.494 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.58 HG21 HG23 ' A' 1142 ' ' THR . 26.8 m -69.05 -24.03 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.17 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.617 ' HG2' HG21 ' A' 1142 ' ' THR . 15.0 mt-30 -57.9 -50.36 73.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.377 0.608 . . . . 0.0 110.205 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.29 64.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -39.28 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.601 -175.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' 1147 ' ' VAL . 3.2 p -68.57 -34.57 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.027 0.441 . . . . 0.0 110.633 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.8 mt -77.76 -42.6 33.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 110.646 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.55 -37.94 85.62 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.335 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1154 ' ' THR . . . . . . . . . . . . . 11.3 p -71.8 -39.31 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.933 0.397 . . . . 0.0 110.999 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.67 68.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.128 0.49 . . . . 0.0 110.597 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1156 ' ' SER . . . . . 0.401 ' HA ' HD22 ' A' 1159 ' ' LEU . 8.8 t -60.54 -34.19 73.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.582 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -68.91 -39.86 79.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.214 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 64.9 t -57.03 -55.0 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.684 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' 1061 ' ' GLU . 4.3 pp -64.15 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.981 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.444 ' N ' HD11 ' A' 1159 ' ' LEU . 14.5 t70 -61.55 -52.95 62.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -74.05 -29.94 62.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.74 73.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.64 0.257 . . . . 0.0 111.628 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 24.3 m -59.96 -47.47 85.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1164 ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' 1168 ' ' GLU . 24.4 p -68.99 -22.63 64.08 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.632 HD13 HG23 ' A' 1192 ' ' VAL . 2.5 tt -66.28 -49.37 67.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1166 ' ' ILE . . . . . 0.543 ' HB ' HD13 ' A' 1054 ' ' LEU . 55.7 mt -64.41 -46.82 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.531 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' 1170 ' ' LYS . 2.5 mm-40 -60.96 -38.3 85.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.582 ' HA ' ' HZ1' ' A' 1171 ' ' LYS . 7.1 tp10 -58.38 -50.03 75.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.042 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.99 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1170 ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' 1167 ' ' GLU . 54.2 mtpt -55.74 -51.0 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.218 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.582 ' HZ1' ' HA ' ' A' 1168 ' ' GLU . 9.5 ptpp? -75.37 -30.6 60.24 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.464 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.25 86.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.118 0.485 . . . . 0.0 110.59 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 15.4 t -69.06 -17.5 63.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.58 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -98.34 10.61 63.35 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.535 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.444 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 67.8 m-70 -99.04 122.99 50.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.571 ' HA ' ' HG3' ' A' 1043 ' ' PRO . 17.0 Cg_exo -68.15 -2.22 8.51 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.155 2.57 . . . . 0.0 112.821 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 148.96 86.72 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.884 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.65 114.89 18.05 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.809 0.337 . . . . 0.0 110.523 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.6 -28.73 31.14 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.795 2.33 . . . . 0.0 112.723 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' 1184 ' ' ARG . 43.7 mt-10 -74.45 -38.0 63.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 110.177 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 40.8 t -57.99 -38.01 75.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.584 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.27 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -71.46 -40.25 70.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.424 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' 1180 ' ' GLU . 4.1 mmp_? -55.34 -54.11 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.043 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.13 -37.93 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.42 67.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.332 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.68 -38.6 73.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.687 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.606 HG11 ' HG ' ' A' 1165 ' ' LEU . 10.6 p -67.23 -34.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1189 ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -68.12 -46.23 71.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.255 0.55 . . . . 0.0 110.323 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.645 ' O ' ' HG2' ' A' 1194 ' ' GLN . 54.2 tptt -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.222 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.745 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.632 HG23 HD13 ' A' 1165 ' ' LEU . 78.3 t -59.81 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1193 ' ' THR . . . . . 0.634 ' HA ' HD12 ' A' 1196 ' ' LEU . 31.9 m -66.04 -30.06 70.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1194 ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' 1190 ' ' LYS . 24.5 mm-40 -64.49 -42.12 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.092 0.473 . . . . 0.0 109.941 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.24 75.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.611 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.875 ' HB3' HG22 ' A' 1095 ' ' THR . 67.8 mt -55.57 -50.98 68.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.288 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1197 ' ' ASN . . . . . 0.445 ' HA ' HG21 ' A' 1200 ' ' VAL . 10.4 t30 -63.28 -32.55 74.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -66.73 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.788 0.327 . . . . 0.0 110.491 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.5 t -73.35 -47.81 39.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.799 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' 1197 ' ' ASN . 32.7 m -68.08 -21.91 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.381 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 34.9 t -77.14 -34.22 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.856 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 26.6 p -86.21 -1.07 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.899 HD13 HD21 ' A' 1091 ' ' LEU . 70.3 mt -66.49 144.57 98.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.32 125.13 17.89 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.152 1.901 . . . . 0.0 110.588 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -58.51 -41.3 95.36 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 113.226 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' 1207 ' ' ARG . 5.2 tp-100 68.85 158.27 0.16 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.225 0.61 . . . . 0.0 111.353 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' 1206 ' ' GLN . 16.2 ptt-85 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.536 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 10.3 tt -125.16 135.56 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.303 0.573 . . . . 0.0 110.687 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -129.96 91.4 39.77 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.754 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1043 ' ' PRO . . . . . 0.422 ' O ' ' HD2' ' A' 1047 ' ' PRO . 23.7 Cg_exo -64.77 147.91 89.88 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.829 2.352 . . . . 0.0 111.822 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 48.2 p90 -80.77 -2.31 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.833 0.825 . . . . 0.0 110.134 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 11.3 t -98.05 -5.87 33.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' 1049 ' ' GLU . . . -83.14 -81.84 0.95 Allowed Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.619 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1047 ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' 1043 ' ' PRO . 39.7 Cg_exo -62.08 162.41 22.93 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.638 2.226 . . . . 0.0 111.58 173.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1048 ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' 1051 ' ' ASP . 70.0 mt 60.8 42.67 13.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.664 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1049 ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' 1046 ' ' GLY . 2.4 mp0 -52.13 -57.64 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.903 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.718 ' HE3' ' HB3' ' A' 1117 ' ' ALA . 63.2 mtt -77.55 -34.98 53.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.325 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1051 ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' 1048 ' ' LEU . 12.7 t70 -59.62 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.042 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 21.7 m -68.89 -29.03 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.3 70.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.096 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' 1058 ' ' GLN . 61.3 tp -56.91 -43.98 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.517 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.7 m -53.48 -39.63 64.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' 1060 ' ' LEU . 47.0 t -64.72 -45.28 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 47.7 t -63.24 -39.29 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.564 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.488 ' O ' ' HG3' ' A' 1062 ' ' LYS . 97.3 mt-30 -63.31 -34.09 76.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -72.88 -31.85 64.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.725 HD21 ' HG2' ' A' 1129 ' ' ARG . 97.3 mt -61.97 -52.0 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.548 ' HB3' ' CD1' ' A' 1159 ' ' LEU . 4.9 pt-20 -61.05 -41.56 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.716 0.293 . . . . 0.0 111.536 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' 1058 ' ' GLN . 53.9 mttm -71.28 -33.27 69.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.54 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -40.23 84.08 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 109.946 172.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' 1132 ' ' ALA . 16.9 mt -63.75 -30.17 71.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.989 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1061 ' ' GLU . 28.9 mt-30 -59.98 -43.69 94.95 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.321 0.388 . . . . 0.0 111.07 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.625 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.594 ' HB ' ' HE ' ' A' 1136 ' ' ARG . 11.2 mt -75.71 -32.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.379 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -62.68 -46.08 89.83 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.04 73.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.623 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.38 75.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.727 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.8 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 110.694 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1072 ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' 1072 ' ' ARG . 3.6 tmt_? -72.41 -44.37 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.02 -33.46 68.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.022 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 98.98 45.89 2.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.6 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -127.62 25.36 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.758 -0.221 . . . . 0.0 111.249 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.94 144.45 56.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.996 0.427 . . . . 0.0 110.606 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 11.6 mmmm -111.79 111.67 53.92 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.781 -173.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' 1077 ' ' LYS . 1.0 OUTLIER -85.21 22.42 0.95 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.195 2.597 . . . . 0.0 111.744 179.11 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.639 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 60.6 mt -94.26 -56.54 0.22 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.98 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.639 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 73.7 Cg_endo -77.68 113.78 3.55 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.638 1.559 . . . . 0.0 111.94 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 128.74 -12.75 6.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.977 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 63.99 -149.83 0.3 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.718 0.305 . . . . 0.0 110.667 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.9 p -73.84 168.58 19.14 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.1 tpp -54.83 -32.65 60.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.202 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.92 -47.85 67.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.902 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -76.86 -45.42 28.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 73.2 m -55.51 -46.42 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.533 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 36.6 p -70.7 -35.35 72.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.281 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.42 -32.86 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.037 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.481 HD12 HD23 ' A' 1131 ' ' LEU . 23.1 tp -60.42 -49.44 77.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.78 175.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.67 95.94 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.34 177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -57.66 -47.54 82.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.48 ' O ' HG13 ' A' 1098 ' ' VAL . 19.3 m -64.15 -37.09 86.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.889 HG21 ' HB3' ' A' 1196 ' ' LEU . 82.5 m -56.94 -53.18 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.083 0.468 . . . . 0.0 110.247 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -62.07 -35.62 79.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.51 -61.95 2.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.632 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.537 HG23 HD21 ' A' 1128 ' ' LEU . 5.9 p -72.01 -26.81 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.615 -175.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.4 t -63.09 -37.22 86.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.199 0.523 . . . . 0.0 110.087 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1100 ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' 1104 ' ' LYS . 44.8 m -74.64 -25.39 59.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.449 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1101 ' ' ALA . . . . . 0.44 ' HB3' ' OD1' ' A' 1123 ' ' ASP . . . -76.11 -44.18 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.439 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.7 pt -64.57 -25.21 37.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.421 . . . . 0.0 110.793 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.18 -32.15 71.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.649 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' 1100 ' ' SER . 57.9 mttm -73.59 -35.56 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.76 -46.86 87.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.564 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 82.9 mt -71.27 -45.19 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 62.94 -113.68 6.13 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.536 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1108 ' ' GLU . . . . . 0.77 ' HG3' HG12 ' A' 1109 ' ' ILE . 13.4 pt-20 -92.46 -27.13 17.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.686 0.279 . . . . 0.0 111.038 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.77 HG12 ' HG3' ' A' 1108 ' ' GLU . 5.1 pt -141.47 -96.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.414 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1110 ' ' ALA . . . . . 0.826 ' HB1' ' HA ' ' A' 1182 ' ' GLN . . . -120.94 2.37 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.378 0.609 . . . . 0.0 110.18 177.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -152.46 110.6 3.68 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.529 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1112 ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' 1116 ' ' TYR . . . -83.77 56.4 5.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.029 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1113 ' ' ASN . . . . . 0.402 ' HB3' ' HD1' ' A' 1116 ' ' TYR . 60.3 t30 72.32 153.32 0.13 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.39 0.676 . . . . 0.0 110.966 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.07 -40.93 82.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.995 -170.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.411 ' O ' HG13 ' A' 1119 ' ' ILE . 31.9 t-20 -69.39 -50.4 46.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -175.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1116 ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' 1112 ' ' GLY . 76.7 m-85 -64.22 -27.24 68.92 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.565 -174.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.718 ' HB3' ' HE3' ' A' 1050 ' ' MET . . . -52.41 -41.45 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.057 0.456 . . . . 0.0 110.726 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1118 ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -80.27 -36.34 24.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.364 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' 1115 ' ' ASN . 35.6 mt -65.6 -47.69 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.977 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1120 ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' 1104 ' ' LYS . . . -72.45 -29.27 63.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.421 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1121 ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' 1050 ' ' MET . . . -63.02 -37.99 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -79.35 -24.93 42.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 109.992 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1123 ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' 1101 ' ' ALA . 6.3 t70 -72.73 -43.94 62.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.715 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -60.83 -43.35 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.566 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.92 -46.08 88.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.17 -40.44 99.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.422 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.98 94.96 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' 1124 ' ' VAL . 66.6 mt -69.43 -29.05 66.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.451 0.167 . . . . 0.0 111.323 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.725 ' HG2' HD21 ' A' 1060 ' ' LEU . 50.3 mtp180 -62.09 -53.55 53.83 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.208 0.528 . . . . 0.0 109.934 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1130 ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' 1133 ' ' GLN . 22.2 m -65.89 -33.91 76.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.842 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1131 ' ' LEU . . . . . 0.481 HD23 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -58.78 -49.36 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.76 ' HB3' HD23 ' A' 1064 ' ' LEU . . . -65.67 -40.65 92.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1133 ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' 1130 ' ' SER . 4.2 pt20 -64.23 -36.92 85.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.64 -42.7 67.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.643 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.82 76.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.594 ' HE ' ' HB ' ' A' 1067 ' ' ILE . 16.6 mmt-85 -68.79 -36.8 78.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.013 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1137 ' ' GLY . . . . . 0.414 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.99 -45.06 94.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.646 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1138 ' ' VAL . . . . . 0.44 ' O ' HG21 ' A' 1142 ' ' THR . 83.6 t -53.96 -49.91 56.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.296 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.43 ' CB ' HD23 ' A' 1152 ' ' LEU . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.861 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.04 77.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.1 0.476 . . . . 0.0 110.77 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1141 ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' 1137 ' ' GLY . 90.3 mt -75.2 -42.37 55.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.975 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.44 HG21 ' O ' ' A' 1138 ' ' VAL . 3.8 t -65.56 -46.72 78.41 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.331 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 50.7 m 64.61 10.3 5.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.685 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.2 t70 -85.73 117.84 69.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 O-C-N 122.371 -0.206 . . . . 0.0 110.6 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1145 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 12.2 Cg_exo -70.46 66.96 2.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.803 2.335 . . . . 0.0 112.267 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.21 -60.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.98 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' 1151 ' ' VAL . 34.9 m -70.73 -24.76 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.785 ' O ' ' HG ' ' A' 1152 ' ' LEU . 54.2 mt-30 -57.37 -51.81 67.9 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.802 0.334 . . . . 0.0 110.314 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.59 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.694 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' 1150 ' ' ILE . 0.8 OUTLIER -72.43 -46.86 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.778 -175.617 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -68.02 -29.77 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.383 0.611 . . . . 0.0 111.029 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' 1148 ' ' GLN . 23.9 mt -77.56 -40.71 41.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.102 0.477 . . . . 0.0 109.782 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.48 -43.35 97.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.379 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.585 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 10.4 p -63.6 -45.82 88.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.979 0.175 . . . . 0.0 111.181 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -56.18 -43.11 78.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 111.018 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -37.57 74.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.046 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1157 ' ' ASP . . . . . 0.414 ' CG ' ' HZ2' ' A' 1161 ' ' LYS . 9.7 t70 -61.4 -37.02 81.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.348 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' 1154 ' ' THR . 96.9 t -58.9 -53.64 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.008 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -69.43 -30.53 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.059 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.493 ' N ' HD13 ' A' 1159 ' ' LEU . 0.5 OUTLIER -57.63 -44.65 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.517 175.2 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1161 ' ' LYS . . . . . 0.494 ' HB3' HG23 ' A' 1192 ' ' VAL . 14.4 mptt -68.66 -43.45 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.42 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.722 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 27.7 t -62.14 -44.02 97.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -62.84 -39.24 93.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.264 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.54 -47.34 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.17 -44.97 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.462 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.35 -40.6 89.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.386 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1168 ' ' GLU . . . . . 0.433 ' OE2' ' HD3' ' A' 1184 ' ' ARG . 28.4 tp10 -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.087 176.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.69 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.815 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.56 -30.25 70.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -76.1 -38.48 56.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.575 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.95 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.927 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 8.0 t -59.0 117.56 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.873 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 121.28 -9.36 10.18 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.8 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 30.3 m-70 -103.7 124.39 38.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1176 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 20.7 Cg_exo -66.53 -10.21 27.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.006 2.471 . . . . 0.0 113.027 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 153.61 80.76 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' A' 1182 ' ' GLN . 33.6 t70 -105.14 119.76 52.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' 1183 ' ' GLN . 10.9 Cg_endo -54.44 -43.9 54.48 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.145 2.563 . . . . 0.0 112.726 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' 1184 ' ' ARG . 44.7 mt-10 -66.03 -43.15 88.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.439 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 23.0 t -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.519 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1182 ' ' GLN . . . . . 0.826 ' HA ' ' HB1' ' A' 1110 ' ' ALA . 18.5 mt-30 -65.24 -43.17 92.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.083 176.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' 1179 ' ' PRO . 54.2 mt-30 -64.02 -37.89 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.538 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' 1180 ' ' GLU . 89.0 mtt180 -52.21 -52.79 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' 1110 ' ' ALA . 69.0 mt -72.82 -38.26 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.964 -177.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.02 94.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.446 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.6 mt-30 -72.54 -40.46 66.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.476 ' O ' HG21 ' A' 1192 ' ' VAL . 10.3 p -70.8 -34.93 58.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.718 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 109.999 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1190 ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' 1194 ' ' GLN . 63.0 tttm -62.33 -38.32 89.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.77 175.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.32 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.772 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' 1161 ' ' LYS . 59.9 t -56.19 -44.16 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.2 0.524 . . . . 0.0 109.932 175.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 21.8 m -60.82 -40.74 93.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.858 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1194 ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' 1190 ' ' LYS . 28.8 mm-40 -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.93 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.889 ' HB3' HG21 ' A' 1095 ' ' THR . 84.4 mt -58.48 -46.14 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.963 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.61 -37.58 86.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.655 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -65.99 -28.4 68.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.355 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1199 ' ' CYS . . . . . 0.585 ' SG ' ' HB ' ' A' 1154 ' ' THR . 90.9 m -69.0 -48.9 61.93 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.363 0.601 . . . . 0.0 109.909 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.5 m -73.94 -21.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 27.8 t -77.93 -40.01 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.064 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -76.06 -1.48 26.14 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1203 ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.05 131.95 74.24 Favored Pre-proline 0 C--O 1.233 0.199 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.898 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -40.03 101.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.374 3.383 . . . . 0.0 114.185 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . 68.08 -74.62 0.26 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.894 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -164.84 137.08 4.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.425 ' HG3' ' OXT' ' A' 1207 ' ' ARG . 7.4 ptm180 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.588 177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 28.9 pt -91.92 -42.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 49.83 88.72 0.11 Allowed Pre-proline 0 C--O 1.235 0.339 0 O-C-N 124.13 0.893 . . . . 0.0 111.902 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.43 152.76 30.44 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.0 112.985 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -101.41 27.0 6.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.075 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 13.5 p -76.42 -16.29 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.544 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.95 1.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.913 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.72 156.62 48.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.334 2.023 . . . . 0.0 111.598 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.73 152.39 41.67 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 121.098 0.475 . . . . 0.0 110.026 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.2 -35.32 67.14 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.699 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1050 ' ' MET . . . . . 0.6 ' HE3' ' HB2' ' A' 1117 ' ' ALA . 62.8 mtt -60.13 -33.49 72.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.516 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.24 -46.45 61.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 13.7 t -65.5 -43.21 90.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.073 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1053 ' ' ALA . . . . . 0.537 ' O ' HG21 ' A' 1057 ' ' VAL . . . -59.66 -49.29 78.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.014 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1054 ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' 1058 ' ' GLN . 49.6 tp -59.19 -36.0 74.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 31.8 t -63.42 -44.82 93.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' 1053 ' ' ALA . 10.3 m -71.27 -30.68 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.235 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1057 ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' 1053 ' ' ALA . 47.5 t -66.98 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.151 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1058 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1054 ' ' LEU . 97.9 mt-30 -64.6 -32.7 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.231 0.538 . . . . 0.0 110.859 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -76.32 -25.44 54.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1060 ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' 1056 ' ' VAL . 93.7 mt -75.34 -46.82 30.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.692 ' HB3' HD12 ' A' 1159 ' ' LEU . 8.0 pt-20 -57.93 -44.41 86.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.036 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' 1066 ' ' GLU . 96.9 mttt -61.07 -38.69 87.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.303 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1063 ' ' ASP . . . . . 0.451 ' O ' HG13 ' A' 1067 ' ' ILE . 18.8 t70 -63.89 -46.59 84.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.176 0.512 . . . . 0.0 110.049 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1064 ' ' LEU . . . . . 0.683 HD23 ' HB2' ' A' 1132 ' ' ALA . 14.6 mt -69.04 -31.99 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.448 -175.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1065 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 1061 ' ' GLU . 10.3 mm100 -68.01 -30.3 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.619 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1066 ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' 1062 ' ' LYS . 48.5 mt-10 -68.52 -43.53 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1067 ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' 1064 ' ' LEU . 52.5 mt -63.17 -39.1 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.224 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.14 -43.79 92.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.417 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.34 87.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.724 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.41 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.124 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.54 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 111.075 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.76 -46.9 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.86 -47.31 75.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.038 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 111.29 31.46 2.82 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.598 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -118.44 25.47 10.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.52 142.65 48.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 111.101 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1077 ' ' LYS . . . . . 0.693 ' H ' ' HD3' ' A' 1078 ' ' PRO . 74.8 mmtt -112.86 -12.04 0.11 Allowed Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1078 ' ' PRO . . . . . 0.693 ' HD3' ' H ' ' A' 1077 ' ' LYS . 1.8 Cg_endo -81.9 21.89 0.9 Allowed 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 122.016 1.811 . . . . 0.0 111.267 178.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1079 ' ' LEU . . . . . 0.758 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 70.1 mt -51.75 -54.81 35.96 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.157 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1080 ' ' PRO . . . . . 0.758 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 93.9 Cg_endo -90.68 158.95 4.25 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.084 1.856 . . . . 0.0 112.41 178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 137.35 -98.74 0.28 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.854 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -93.49 -177.82 4.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.965 0.412 . . . . 0.0 110.956 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 22.8 p -104.13 168.55 9.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1084 ' ' MET . . . . . 0.665 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 48.2 tpp -68.2 -28.35 67.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.541 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.04 -55.05 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.037 175.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.13 -51.71 65.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.247 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1087 ' ' CYS . . . . . 0.665 ' SG ' ' HA ' ' A' 1084 ' ' MET . 6.8 p -63.28 -44.09 96.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 40.6 p -65.44 -38.29 89.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.38 -49.01 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.322 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.28 -31.82 73.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.234 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1091 ' ' LEU . . . . . 0.455 ' CD2' HD22 ' A' 1203 ' ' LEU . 19.8 tp -61.73 -48.9 78.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.913 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.89 -41.02 98.89 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.043 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.67 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.54 0.21 . . . . 0.0 110.898 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1094 ' ' SER . . . . . 0.514 ' O ' HG11 ' A' 1098 ' ' VAL . 32.1 m -67.9 -36.19 79.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 0.0 110.098 175.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1095 ' ' THR . . . . . 0.993 HG21 ' HB3' ' A' 1196 ' ' LEU . 63.3 m -57.26 -57.52 12.27 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -64.6 -34.82 79.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -57.3 -61.29 2.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1098 ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' 1094 ' ' SER . 7.3 p -70.86 -28.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.138 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 33.8 t -64.36 -37.98 89.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.243 0.544 . . . . 0.0 110.107 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.8 t -72.14 -35.16 69.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.134 0.493 . . . . 0.0 109.956 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.36 78.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.911 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 28.0 pt -64.74 -26.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.889 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.88 -29.41 69.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.723 0.297 . . . . 0.0 110.617 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1104 ' ' LYS . . . . . 0.467 ' HG3' ' CZ ' ' A' 1116 ' ' TYR . 14.3 mptt -75.68 -40.32 56.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.618 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1105 ' ' LEU . . . . . 0.419 HD13 HD12 ' A' 1165 ' ' LEU . 40.6 mt -61.07 -34.97 75.75 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1106 ' ' LEU . . . . . 0.664 ' HG ' ' HB3' ' A' 1185 ' ' LEU . 11.0 mp -78.14 79.02 4.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.519 171.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -82.93 -109.48 0.48 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.692 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1108 ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' 1182 ' ' GLN . 16.3 pt-20 -162.11 165.71 26.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 22.6 pt -95.59 -168.77 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 61.28 75.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.476 0.485 . . . . 0.0 109.828 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 60.94 91.38 0.06 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.24 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -86.25 152.49 25.6 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.245 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -84.55 110.3 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.725 0.298 . . . . 0.0 110.201 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.07 -27.55 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.71 -176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1115 ' ' ASN . . . . . 0.445 ' O ' HG13 ' A' 1119 ' ' ILE . 93.4 m-20 -71.37 -44.9 64.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.278 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1116 ' ' TYR . . . . . 0.467 ' CZ ' ' HG3' ' A' 1104 ' ' LYS . 1.7 t80 -59.18 -47.51 85.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1117 ' ' ALA . . . . . 0.6 ' HB2' ' HE3' ' A' 1050 ' ' MET . . . -61.73 -38.45 87.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.888 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.65 -50.58 58.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.252 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1119 ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' 1115 ' ' ASN . 73.5 mt -57.31 -45.87 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.538 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.08 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.81 85.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.058 0.456 . . . . 0.0 110.917 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1122 ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' 1122 ' ' ARG . 43.5 ttp180 -75.12 -33.15 61.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 110.212 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.63 -45.5 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.784 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.587 ' O ' HD21 ' A' 1128 ' ' LEU . 23.2 m -60.79 -39.37 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.946 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1125 ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -57.65 -46.63 83.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.86 -37.37 93.6 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.855 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.79 -43.87 98.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.159 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1128 ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' 1124 ' ' VAL . 0.1 OUTLIER -63.21 -38.77 92.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.514 0.197 . . . . 0.0 111.113 179.125 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1129 ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' 1125 ' ' ALA . 29.3 mtm180 -59.82 -54.14 49.76 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.168 0.508 . . . . 0.0 109.916 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.7 m -59.57 -42.45 92.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.16 -49.93 75.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.776 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1132 ' ' ALA . . . . . 0.683 ' HB2' HD23 ' A' 1064 ' ' LEU . . . -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.358 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.51 -41.11 96.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.171 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.1 74.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.868 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.86 80.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.736 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1136 ' ' ARG . . . . . 0.433 ' HE ' HD12 ' A' 1067 ' ' ILE . 7.8 ptm180 -66.07 -24.5 66.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.398 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -73.6 -49.22 15.13 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.377 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.5 t -53.6 -48.65 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 122.402 0.281 . . . . 0.0 111.306 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.4 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.675 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1140 ' ' ALA . . . . . 0.48 ' HB1' ' C ' ' A' 1078 ' ' PRO . . . -72.46 -46.0 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 110.826 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.34 -38.39 84.77 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.783 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1142 ' ' THR . . . . . 0.455 HG22 HG21 ' A' 1147 ' ' VAL . 12.6 t -75.12 150.93 38.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 26.7 m -114.1 4.25 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.723 0.297 . . . . 0.0 110.978 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1144 ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' 1148 ' ' GLN . 14.1 t70 -80.33 115.61 55.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -76.12 66.59 6.95 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.1 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.53 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.497 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1147 ' ' VAL . . . . . 0.511 ' O ' HG11 ' A' 1151 ' ' VAL . 26.9 m -67.05 -25.83 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.108 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1148 ' ' GLN . . . . . 0.58 ' O ' ' HG ' ' A' 1152 ' ' LEU . 18.0 mt-30 -52.83 -53.96 41.16 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.242 0.544 . . . . 0.0 110.839 177.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.84 68.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1150 ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -72.75 -36.27 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.78 -174.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1151 ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.29 -35.61 68.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.175 0.512 . . . . 0.0 110.445 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1152 ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.9 mt -75.27 -42.28 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.371 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.41 -46.48 80.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1154 ' ' THR . . . . . 0.51 ' O ' HG22 ' A' 1158 ' ' VAL . 11.6 p -68.62 -41.01 80.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.2 0.524 . . . . 0.0 110.834 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -66.45 -32.98 74.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.836 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.08 -36.85 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1158 ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' 1154 ' ' THR . 75.5 t -57.0 -56.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.817 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.692 HD12 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -67.43 -30.36 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.874 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1160 ' ' ASP . . . . . 0.509 ' N ' HD11 ' A' 1159 ' ' LEU . 31.9 t70 -56.49 -48.4 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.2 mptt -76.18 -33.82 59.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -60.34 -39.32 86.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 111.141 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' 1167 ' ' GLU . 41.9 m -59.81 -52.1 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.025 176.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 27.0 m -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1165 ' ' LEU . . . . . 0.537 HD21 HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -66.04 -53.17 41.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.79 -44.44 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.453 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1167 ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' 1171 ' ' LYS . 53.2 mt-10 -60.5 -47.32 86.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -59.13 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.655 0.264 . . . . 0.0 110.609 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.83 73.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.049 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.454 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1171 ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' 1167 ' ' GLU . 27.3 mtpt -67.92 -32.52 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.628 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.2 m -65.17 -25.32 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.239 0.542 . . . . 0.0 110.211 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -98.31 13.45 63.05 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1175 ' ' HIS . . . . . 0.577 ' HB3' ' HB3' ' A' 1178 ' ' ASP . 9.0 m170 -129.22 63.68 68.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 122.477 0.311 . . . . 0.0 110.755 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.28 -14.01 28.3 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.046 1.831 . . . . 0.0 112.283 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -122.65 30.96 4.96 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1178 ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' A' 1175 ' ' HIS . 25.5 t0 -117.54 104.02 50.19 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 0.0 110.424 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1179 ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' 1178 ' ' ASP . 27.5 Cg_endo -62.57 -31.57 79.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.664 2.242 . . . . 0.0 112.111 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1180 ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' 1184 ' ' ARG . 43.4 mt-10 -71.66 -20.76 61.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.299 -178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 49.3 m -59.36 -35.84 74.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.651 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1182 ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' 1108 ' ' GLU . 30.9 mm-40 -67.85 -47.08 69.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.231 176.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1183 ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' 1187 ' ' GLN . 6.4 tm0? -57.04 -45.76 82.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1184 ' ' ARG . . . . . 0.589 ' HA ' HE21 ' A' 1187 ' ' GLN . 57.7 mtt85 -65.41 -43.25 91.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1185 ' ' LEU . . . . . 0.664 ' HB3' ' HG ' ' A' 1106 ' ' LEU . 53.6 mt -56.97 -44.27 82.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.55 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.228 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1187 ' ' GLN . . . . . 0.589 HE21 ' HA ' ' A' 1184 ' ' ARG . 46.6 mt-30 -66.1 -50.65 63.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1188 ' ' VAL . . . . . 0.537 HG13 HD21 ' A' 1165 ' ' LEU . 7.9 p -70.77 -38.36 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.405 -175.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.18 86.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.68 -39.78 91.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.731 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.957 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1192 ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' 1188 ' ' VAL . 67.9 t -62.07 -47.12 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.434 . . . . 0.0 109.97 175.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 25.7 m -61.44 -38.25 86.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.107 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.29 -45.2 73.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.35 95.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1196 ' ' LEU . . . . . 0.993 ' HB3' HG21 ' A' 1095 ' ' THR . 76.2 mt -55.1 -50.11 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.949 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.17 -43.3 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.87 -24.88 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.746 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 19.6 t -73.15 -49.09 30.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1200 ' ' VAL . . . . . 0.556 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 16.3 m -70.51 -21.92 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.539 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 69.6 m -70.55 -25.43 63.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.605 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1202 ' ' CYS . . . . . 0.473 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 95.0 m -86.49 -5.19 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.499 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1203 ' ' LEU . . . . . 0.556 ' HG ' ' HA ' ' A' 1200 ' ' VAL . 74.2 mt -62.25 127.58 89.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1204 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 3.3 Cg_exo -79.05 134.9 11.97 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.263 2.642 . . . . 0.0 112.014 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -81.2 74.42 2.44 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.367 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 34.28 81.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.505 1.122 . . . . 0.0 113.037 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.258 -177.506 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' 1118 ' ' GLY . 61.8 mm-40 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.544 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.8 mtt -65.6 -44.44 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.62 -40.06 94.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.259 0.552 . . . . 0.0 110.162 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 22.1 m -64.93 -39.21 93.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.655 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.95 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.732 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.34 -43.94 83.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.9 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 38.8 m -57.78 -41.32 81.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.594 ' O ' ' HG ' ' A' 1060 ' ' LEU . 60.5 t -61.58 -46.45 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.615 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.3 t -65.84 -38.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' 1061 ' ' GLU . 98.5 mt-30 -67.78 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 177.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -76.62 -27.93 55.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.381 172.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.684 HD21 ' HG2' ' A' 1129 ' ' ARG . 78.9 mt -69.25 -43.88 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' 1065 ' ' GLN . 1.5 pt-20 -59.98 -43.84 94.86 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.278 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -71.92 -26.18 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.07 -49.76 73.23 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.578 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.4 mt -75.0 -21.44 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1061 ' ' GLU . 13.0 mm100 -57.44 -46.62 83.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.037 0.446 . . . . 0.0 110.367 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.42 -36.65 84.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.136 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' 1064 ' ' LEU . 81.4 mt -71.72 -37.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.384 -177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 56.8 mttm -55.68 -51.79 66.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.462 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.74 94.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.553 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1070 ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -63.43 -46.29 87.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.151 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.641 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' 1072 ' ' ARG . 0.6 OUTLIER -59.81 -42.94 94.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.1 176.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.986 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.19 29.78 2.9 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.936 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1075 ' ' LYS . . . . . 0.582 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 60.2 mttp -90.09 -84.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' 1140 ' ' ALA . 24.2 mt . . . . . 0 CA--C 1.533 0.291 0 O-C-N 123.509 0.506 . . . . 0.0 112.278 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 51.2 ttm -59.15 -34.22 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.294 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.13 -38.14 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.686 0.279 . . . . 0.0 110.85 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -77.22 -40.38 45.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.744 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.0 m -65.4 -41.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.105 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1088 ' ' THR . . . . . 0.498 HG22 HD13 ' A' 1203 ' ' LEU . 24.8 p -71.33 -33.31 69.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -67.71 -45.11 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.077 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.7 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.73 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.713 HD23 HD11 ' A' 1203 ' ' LEU . 21.4 tp -59.06 -45.64 90.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.574 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.451 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -61.54 -42.1 99.7 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.924 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.29 -42.24 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.527 0.203 . . . . 0.0 110.681 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 43.2 m -58.14 -41.26 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.969 0.414 . . . . 0.0 110.158 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' 1196 ' ' LEU . 81.3 m -56.82 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.823 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1092 ' ' GLY . 61.9 mttm -65.38 -33.33 75.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.23 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.405 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.5 p -71.24 -23.56 23.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.969 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 70.4 m -64.93 -33.23 75.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.181 0.515 . . . . 0.0 110.189 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.37 -32.9 60.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.734 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.55 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.665 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' 1106 ' ' LEU . 38.6 pt -64.41 -30.69 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.925 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.77 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.147 0.498 . . . . 0.0 110.57 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -75.1 -32.48 61.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.407 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.16 -38.08 69.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 110.517 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' 1189 ' ' ALA . 4.6 mm? . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 CA--C 1.515 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1117 ' ' ALA . . . . . 0.544 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -51.17 -43.12 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.065 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' 1049 ' ' GLU . . . -75.6 -40.74 31.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.233 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.79 -42.17 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.339 . . . . 0.0 111.009 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.91 74.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.662 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.73 -33.74 76.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.164 0.507 . . . . 0.0 110.403 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -71.79 -36.26 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.182 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.68 -40.3 80.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.301 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -63.65 -43.84 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.616 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.53 84.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.832 0.348 . . . . 0.0 110.993 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.23 -42.07 99.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.391 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1127 ' ' GLY . . . . . 0.466 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -64.43 -38.2 95.48 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.952 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' 1124 ' ' VAL . 63.6 mt -68.81 -35.67 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.556 0.217 . . . . 0.0 110.961 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.684 ' HG2' HD21 ' A' 1060 ' ' LEU . 33.6 mtp180 -61.84 -51.29 68.82 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.197 0.523 . . . . 0.0 110.0 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.5 t -57.88 -40.42 80.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.296 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.48 HD22 HD12 ' A' 1091 ' ' LEU . 1.7 tm? -59.97 -56.27 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.952 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.578 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.4 -41.71 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.935 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.5 -37.66 87.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.595 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.76 68.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.663 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1135 ' ' ALA . . . . . 0.403 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -64.32 -45.97 85.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.481 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.52 ' HD2' HD13 ' A' 1067 ' ' ILE . 35.2 ptt180 -67.95 -25.57 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.627 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.4 -45.13 70.57 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 55.9 t -54.63 -46.45 72.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -63.9 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.428 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1140 ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.19 -26.76 56.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.459 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.4 mt -80.8 -36.87 31.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.348 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.409 HG21 HG23 ' A' 1147 ' ' VAL . 9.9 t -80.77 150.43 29.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.196 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 32.2 p -109.7 4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.736 0.303 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -85.87 112.95 48.76 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.55 67.05 5.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.096 2.53 . . . . 0.0 111.931 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.43 -55.48 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.207 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' 1151 ' ' VAL . 29.8 m -69.4 -27.25 33.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.52 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.3 mt-30 -57.38 -46.04 83.82 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 177.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.74 62.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -38.65 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.511 -175.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -71.15 -33.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -78.15 -41.59 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.266 0.555 . . . . 0.0 110.207 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.7 -45.31 85.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.297 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.558 ' O ' HG23 ' A' 1158 ' ' VAL . 9.4 p -64.3 -42.64 96.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.848 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.84 81.41 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.09 0.471 . . . . 0.0 110.788 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.3 m -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.9 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.257 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' 1154 ' ' THR . 99.1 t -58.46 -59.23 3.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' 1160 ' ' ASP . 4.5 pp -64.81 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' 1159 ' ' LEU . 13.3 t70 -57.23 -53.43 58.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.493 0.663 . . . . 0.0 110.265 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -34.95 72.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.27 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.33 -28.37 69.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.112 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.583 ' O ' ' HG3' ' A' 1167 ' ' GLU . 53.8 m -61.17 -54.05 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 50.9 m -68.86 -23.47 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' 1162 ' ' ALA . 45.2 tp -59.57 -46.96 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 67.9 mt -73.5 -39.15 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.982 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' 1163 ' ' SER . 47.2 mt-10 -56.31 -50.71 70.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.513 ' HA ' ' HD3' ' A' 1171 ' ' LYS . 7.1 tp10 -60.86 -43.58 98.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.36 92.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.069 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.56 -46.03 73.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' 1168 ' ' GLU . 30.9 mtpt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.396 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.169 0.509 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -71.68 -35.2 70.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.571 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' 1168 ' ' GLU . 15.7 tp -61.43 -41.32 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.662 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.39 94.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.843 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -63.81 -47.99 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.195 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' 1192 ' ' VAL . 11.1 p -71.48 -29.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.686 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.46 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.163 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -67.99 -32.45 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.792 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.31 83.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1188 ' ' VAL . 61.3 t -63.91 -43.89 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.743 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 16.8 m -60.63 -42.32 96.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.899 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1194 ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' 1190 ' ' LYS . 27.2 mm-40 -63.4 -41.74 98.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.82 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' 1095 ' ' THR . 84.5 mt -57.55 -49.25 76.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.6 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.58 -29.76 70.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.793 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -75.49 -31.13 60.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.8 t -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 24.0 m -67.02 -24.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.93 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.0 t -78.37 -38.27 42.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -80.1 -1.74 41.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.713 HD11 HD23 ' A' 1091 ' ' LEU . 93.8 mt -59.44 138.63 89.09 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.46 -0.441 0 C-N-CA 122.488 2.125 . . . . 0.0 111.976 178.406 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.807 0.337 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 20.1 mtt -71.26 -44.41 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.136 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -72.45 -31.96 65.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.401 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1052 ' ' SER . . . . . 0.403 ' O ' HG23 ' A' 1056 ' ' VAL . 24.0 m -62.69 -46.14 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 173.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.57 96.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' 1057 ' ' VAL . 48.6 tp -60.54 -39.37 87.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.727 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -44.84 95.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' 1060 ' ' LEU . 82.9 t -67.86 -45.83 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.236 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.1 p -63.25 -33.09 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.035 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 72.1 mt-30 -67.58 -39.01 84.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.682 0.277 . . . . 0.0 110.671 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -63.39 -45.99 88.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' 1057 ' ' VAL . 80.1 mt -57.95 -49.59 76.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.272 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.585 ' CB ' HD13 ' A' 1159 ' ' LEU . 12.2 pt-20 -66.45 -38.6 87.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -176.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.95 -33.7 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.049 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' 1067 ' ' ILE . 0.6 OUTLIER -58.88 -48.46 81.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.096 0.474 . . . . 0.0 109.775 172.693 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.524 HD23 HD12 ' A' 1067 ' ' ILE . 77.2 mt -64.07 -27.86 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.29 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' 1061 ' ' GLU . 81.0 mt-30 -66.51 -40.65 89.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.101 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.44 -43.46 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.938 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.606 HG22 HD13 ' A' 1152 ' ' LEU . 61.9 mt -65.32 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.64 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 36.4 ttmt -61.78 -41.28 97.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 110.313 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.85 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.421 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.93 91.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.82 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.256 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' 1072 ' ' ARG . 8.1 tpp180 -57.79 -52.22 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.48 -27.64 56.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.68 45.71 2.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -119.07 23.02 11.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.735 0.302 . . . . 0.0 110.748 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.369 177.686 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1083 ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 44.7 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -67.47 -30.83 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.436 ' OE1' ' HB ' ' A' 1083 ' ' THR . 3.3 mp0 -57.76 -53.14 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 40.3 tptt -53.75 -52.33 60.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.641 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1087 ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' 1091 ' ' LEU . 72.6 m -59.38 -54.3 48.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.981 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.1 p -67.28 -38.59 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -70.84 -48.25 55.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.76 -29.66 67.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.641 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.822 HD23 HD11 ' A' 1203 ' ' LEU . 17.4 tp -60.47 -49.48 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.918 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.46 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.03 -37.23 94.09 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.4 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.62 -38.7 77.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.664 0.269 . . . . 0.0 110.91 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.461 ' O ' HG12 ' A' 1098 ' ' VAL . 51.1 m -68.12 -33.33 74.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 174.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.1 m -58.56 -57.39 13.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.026 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -62.65 -38.27 89.64 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.19 -58.33 8.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.283 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.3 p -73.67 -23.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.15 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 34.8 t -63.85 -38.73 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 0.0 110.275 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 34.5 t -75.05 -28.15 60.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.46 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -71.24 -46.02 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.519 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' 1189 ' ' ALA . 13.1 pt -65.44 -28.45 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -68.27 -31.71 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.329 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 54.3 mtmt -75.74 -26.22 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.812 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.425 HD11 HG11 ' A' 1124 ' ' VAL . 71.6 mt -68.07 -25.64 65.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.643 HD23 HD12 ' A' 1185 ' ' LEU . 97.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.624 0.25 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.28 -46.39 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.202 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -74.7 -40.73 36.84 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.067 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.93 -44.67 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.854 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.05 62.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.324 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.41 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.51 -31.49 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -75.33 -33.73 61.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.197 0.522 . . . . 0.0 109.796 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -70.77 -43.37 68.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.78 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 26.4 m -62.98 -42.04 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.686 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.94 77.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.657 0.265 . . . . 0.0 110.856 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.88 98.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.385 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1127 ' ' GLY . . . . . 0.403 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -69.96 -42.69 68.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 70.9 mt -65.7 -40.56 92.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.52 0.2 . . . . 0.0 111.39 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.552 ' O ' ' HG3' ' A' 1133 ' ' GLN . 14.4 ptm180 -69.69 -36.13 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.669 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 17.4 m -70.24 -36.12 74.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.015 0.435 . . . . 0.0 110.064 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.53 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -56.21 -49.02 75.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.465 175.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.33 -44.31 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.618 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' 1129 ' ' ARG . 95.9 mt-30 -58.81 -49.47 77.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.608 -177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1134 ' ' ALA . . . . . 0.511 ' HB3' HD13 ' A' 1091 ' ' LEU . . . -65.47 -38.3 89.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.478 -176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.94 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.007 0.432 . . . . 0.0 111.199 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.404 ' HG2' HD13 ' A' 1067 ' ' ILE . 58.3 mtp180 -60.75 -40.04 90.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.55 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.93 -48.9 71.65 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.074 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.472 ' HB ' HG21 ' A' 1151 ' ' VAL . 97.7 t -53.1 -49.95 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.22 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.64 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.721 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.88 -26.37 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.426 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' 1137 ' ' GLY . 88.5 mt -84.11 -42.28 16.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.41 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.452 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -71.24 145.75 49.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.754 -176.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 11.7 t -104.35 3.38 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.7 t70 -89.23 112.17 49.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.783 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -73.33 66.97 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.816 2.344 . . . . 0.0 111.84 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1146 ' ' ALA . . . . . 0.411 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -164.74 -56.02 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.085 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' 1151 ' ' VAL . 24.5 m -66.52 -25.64 35.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.8 mt-30 -54.36 -49.36 69.99 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.411 0.624 . . . . 0.0 110.479 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.37 59.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.523 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -40.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.522 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -67.63 -34.35 67.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.05 0.452 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.2 mt -77.86 -43.34 30.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.233 0.539 . . . . 0.0 110.33 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1153 ' ' ASP . . . . . 0.655 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 25.9 t70 -61.59 -41.29 97.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.051 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.519 ' O ' HG23 ' A' 1158 ' ' VAL . 18.0 p -66.05 -46.98 75.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.02 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.07 99.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.968 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1156 ' ' SER . . . . . 0.784 ' HA ' HD11 ' A' 1159 ' ' LEU . 23.3 t -66.99 -24.51 66.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.313 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD2' ' A' 1161 ' ' LYS . 30.4 t70 -78.35 -31.06 48.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1154 ' ' THR . 92.1 t -63.05 -62.36 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.081 0.467 . . . . 0.0 111.14 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' 1156 ' ' SER . 0.2 OUTLIER -65.78 -28.32 68.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.303 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' 1157 ' ' ASP . 5.7 t70 -47.01 -53.04 13.36 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.29 0.566 . . . . 0.0 111.054 173.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' 1157 ' ' ASP . 7.2 mttp -77.52 -26.68 51.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.177 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.86 -35.76 82.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 54.0 m -61.34 -49.62 76.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 4.1 p -69.85 -26.6 64.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.583 0.23 . . . . 0.0 110.885 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.778 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.6 tt -61.28 -52.29 65.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.98 -41.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.924 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' 1171 ' ' LYS . 45.5 mt-10 -59.68 -53.9 52.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.919 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.96 -31.25 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.005 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.85 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.77 -38.41 91.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.163 0.506 . . . . 0.0 109.643 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' 1167 ' ' GLU . 5.6 mptp? . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.067 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -54.14 -50.36 67.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.77 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.643 HD12 HD23 ' A' 1106 ' ' LEU . 0.2 OUTLIER -62.93 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.418 -177.554 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.16 -50.3 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.613 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.778 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.3 p -65.16 -32.15 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.593 0.235 . . . . 0.0 111.258 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -65.63 -48.24 72.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.627 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -73.17 -23.1 60.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.74 95.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 109.983 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1188 ' ' VAL . 60.9 t -65.64 -37.9 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.054 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 6.9 m -59.18 -46.43 88.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.678 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -70.95 -31.31 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.48 90.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.009 0.433 . . . . 0.0 110.008 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.913 ' HB3' HG23 ' A' 1095 ' ' THR . 70.5 mt -56.77 -50.77 71.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.243 174.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.15 -42.75 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.34 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -60.9 -37.33 81.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.6 t -72.93 -47.42 45.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.296 0.57 . . . . 0.0 110.114 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 20.6 m -68.45 -21.38 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.905 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -37.9 52.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 25.7 p -83.14 -1.33 52.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.699 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.822 HD11 HD23 ' A' 1091 ' ' LEU . 72.3 mt -62.4 130.09 92.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 N--CA 1.458 -0.599 0 C-N-CA 122.46 2.106 . . . . 0.0 111.103 172.346 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 41.6 mtt -63.13 -36.37 83.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.288 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1052 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 1056 ' ' VAL . 23.3 m -64.81 -47.2 78.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.994 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1057 ' ' VAL . . . -57.21 -41.38 79.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.304 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 27.0 t -62.9 -37.27 86.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' 1052 ' ' SER . 93.8 t -58.86 -49.48 82.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.309 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -55.64 -43.08 71.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 110.534 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.58 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 78.5 mt-30 -61.92 -27.9 69.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.635 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -67.13 -48.76 67.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.247 -0.283 . . . . 0.0 110.556 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' 1132 ' ' ALA . 3.7 mm? -62.67 -43.99 97.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.58 ' HG2' ' HA ' ' A' 1058 ' ' GLN . 11.5 pt-20 -60.36 -40.48 90.89 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.181 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' 1058 ' ' GLN . 57.2 mttm -72.57 -33.31 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.419 . . . . 0.0 110.525 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.88 -50.89 70.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.841 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.664 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.5 mt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.087 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' 1061 ' ' GLU . 72.1 mt-30 -61.89 -31.25 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.805 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.453 HG23 HD21 ' A' 1076 ' ' LEU . 2.7 mp -65.86 -36.36 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -58.99 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.12 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.16 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.953 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -69.17 -35.28 76.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 0.0 110.812 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -66.04 -47.01 75.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 39.0 t70 -77.81 -35.81 50.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.995 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 104.18 44.3 1.63 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.54 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -122.25 17.38 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.248 0.219 . . . . 0.0 111.269 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' 1071 ' ' ALA . 20.2 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.977 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.4 tpp -68.1 -35.62 78.45 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.05 -40.2 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.781 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 74.0 tttt -70.69 -55.47 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.547 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1087 ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' 1091 ' ' LEU . 77.6 m -53.7 -46.37 70.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.523 -172.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 20.6 p -67.64 -45.69 74.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.823 0.344 . . . . 0.0 111.498 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -70.61 -41.9 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.09 -34.17 75.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.793 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -60.19 -43.91 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.43 -36.38 92.54 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.068 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1093 ' ' ASN . . . . . 0.504 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.0 m-20 -70.72 -38.23 73.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.709 -0.289 . . . . 0.0 110.524 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.42 ' O ' HG12 ' A' 1098 ' ' VAL . 31.7 m -64.0 -38.73 92.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 109.888 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.844 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.5 m -56.61 -56.33 22.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.24 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 0.1 OUTLIER -67.18 -34.87 78.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.0 -55.76 28.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.062 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.529 HG21 HD21 ' A' 1128 ' ' LEU . 13.6 p -75.71 -22.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.4 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.148 0.499 . . . . 0.0 109.823 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 31.8 m -73.51 -24.4 60.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.394 0.616 . . . . 0.0 110.246 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -72.89 -49.22 31.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.449 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.2 pt -65.46 -23.18 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.36 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.803 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.13 -28.55 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.782 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.32 -37.58 68.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.543 HD23 HD12 ' A' 1185 ' ' LEU . 97.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.682 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.694 0.283 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.87 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -67.25 -49.26 53.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.292 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.59 -46.23 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.649 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.555 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -67.43 -30.66 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -71.07 -35.11 71.76 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.002 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.82 -36.96 56.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.175 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' 1128 ' ' LEU . 31.6 m -65.75 -39.9 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.788 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.01 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.007 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.64 -37.59 94.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.519 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1127 ' ' GLY . . . . . 0.467 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -76.3 -38.55 33.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.246 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' 1124 ' ' VAL . 61.2 mt -68.45 -40.5 81.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.258 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.497 ' HA ' ' HG ' ' A' 1060 ' ' LEU . 40.0 ptt180 -66.71 -31.46 72.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.416 . . . . 0.0 110.494 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 31.5 t -75.52 -38.9 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.923 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.406 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.35 -52.74 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.27 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' 1060 ' ' LEU . . . -60.81 -38.67 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.322 -175.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -64.04 -46.64 83.51 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -64.39 -33.09 75.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.536 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.48 -32.92 74.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.7 mtm180 -65.77 -40.44 92.02 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.388 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.662 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -50.93 58.51 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.684 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 93.6 t -50.72 -48.48 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.727 0.298 . . . . 0.0 111.379 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -59.63 -46.01 90.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.879 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.07 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.874 0.369 . . . . 0.0 111.451 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' 1137 ' ' GLY . 47.6 mt -81.13 -36.55 30.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.678 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.472 HG21 HG23 ' A' 1147 ' ' VAL . 15.2 t -69.35 -29.51 67.33 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.552 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 27.5 t 73.07 -39.98 0.46 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 174.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.415 ' HB3' HG22 ' A' 1147 ' ' VAL . 11.1 t70 -56.3 118.12 19.98 Favored Pre-proline 0 N--CA 1.466 0.351 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.81 66.91 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.979 2.453 . . . . 0.0 111.778 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.45 -55.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.707 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.472 HG23 HG21 ' A' 1142 ' ' THR . 27.0 m -67.88 -27.2 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.302 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.654 ' O ' ' HG ' ' A' 1152 ' ' LEU . 95.2 mt-30 -57.4 -46.23 83.7 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 172.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.23 -34.59 75.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -40.77 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.685 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' 1147 ' ' VAL . 4.9 p -67.06 -37.72 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1148 ' ' GLN . 29.4 mt -75.86 -42.21 50.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 110.172 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.61 -44.17 96.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.453 ' O ' HG23 ' A' 1158 ' ' VAL . 17.5 p -67.41 -40.55 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.599 0.238 . . . . 0.0 110.853 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.67 84.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.048 0.452 . . . . 0.0 110.524 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1156 ' ' SER . . . . . 0.468 ' HA ' ' HG ' ' A' 1159 ' ' LEU . 26.2 t -66.54 -43.23 85.67 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 176.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1157 ' ' ASP . . . . . 0.497 ' O ' ' HD3' ' A' 1161 ' ' LYS . 24.8 t70 -56.25 -32.91 64.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 110.008 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' 1154 ' ' THR . 97.8 t -61.37 -56.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.633 174.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -71.37 -30.96 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.673 -175.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' 1159 ' ' LEU . 8.5 m-20 -58.38 -48.41 80.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.115 0.483 . . . . 0.0 110.048 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' 1157 ' ' ASP . 4.8 mptp? -75.69 -34.44 60.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.683 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.55 -37.0 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.682 177.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1167 ' ' GLU . 22.7 t -59.24 -54.51 46.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.555 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.3 t -64.02 -29.77 70.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.779 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.734 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.3 tt -61.76 -50.51 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 177.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 74.9 mt -72.13 -39.34 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.055 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.4 mt-10 -63.77 -41.43 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.652 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.645 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 20.6 tp10 -64.22 -44.96 90.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.281 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.63 75.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -56.48 -39.28 72.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 42.3 mtmt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.385 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.459 0.171 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.495 ' HD2' ' OE2' ' A' 1168 ' ' GLU . 36.8 mtt180 -64.68 -42.5 95.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.543 HD12 HD23 ' A' 1106 ' ' LEU . 0.3 OUTLIER -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.022 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.65 93.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -61.5 -47.07 87.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.515 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.734 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.6 p -74.25 -34.04 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -174.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.05 90.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.413 0.625 . . . . 0.0 109.762 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 52.6 tttp -62.88 -40.51 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.047 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1191 ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -61.01 -45.98 92.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.071 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.722 HG21 HD12 ' A' 1165 ' ' LEU . 61.8 t -60.01 -39.7 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.439 . . . . 0.0 110.152 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -43.0 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.592 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.93 -38.89 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.848 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.702 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.844 ' HB3' HG23 ' A' 1095 ' ' THR . 69.0 mt -53.98 -51.19 64.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.493 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' 1200 ' ' VAL . 3.4 t30 -55.56 -51.34 67.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.477 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.53 -23.69 64.56 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.195 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 16.7 t -73.5 -47.93 37.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' 1197 ' ' ASN . 11.2 m -69.79 -23.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.073 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.1 -31.31 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.283 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.6 p -86.25 -1.84 57.84 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 122.226 -0.296 . . . . 0.0 111.398 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.793 HD11 HD23 ' A' 1091 ' ' LEU . 89.9 mt -70.08 134.07 87.61 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 C-N-CA 122.593 2.195 . . . . 0.0 110.181 166.737 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.87 0.367 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.542 ' HA ' ' HB1' ' A' 1121 ' ' ALA . 52.6 mtt -54.6 -57.06 12.9 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.004 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.92 -30.5 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.564 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 40.2 t -62.26 -51.28 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.21 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -64.09 -40.37 96.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.288 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' 1166 ' ' ILE . 65.0 tp -54.53 -42.65 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.346 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.9 t -56.66 -43.12 80.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.321 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.1 t -67.11 -47.17 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.303 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -56.04 -42.67 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.03 -36.68 75.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.589 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -76.1 -33.5 59.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.82 0.343 . . . . 0.0 110.373 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.6 mt -64.64 -44.31 90.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.288 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.525 ' N ' HD11 ' A' 1159 ' ' LEU . 6.5 pt-20 -66.4 -39.75 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 91.2 mttt -67.71 -34.89 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.051 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.7 -45.99 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.971 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.786 HD21 ' HB1' ' A' 1132 ' ' ALA . 19.1 mt -68.61 -32.12 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.037 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.03 -39.32 91.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.287 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.37 -41.86 98.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.567 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.493 HG23 HD13 ' A' 1076 ' ' LEU . 74.9 mt -67.9 -30.45 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.3 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' 1152 ' ' LEU . 49.1 mtmt -61.31 -35.15 76.59 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.933 0.396 . . . . 0.0 110.388 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.48 63.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.82 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.228 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -66.15 -35.94 81.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -65.5 -44.79 85.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.654 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -8.86 58.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 75.84 34.66 47.59 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.733 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -100.18 -19.54 16.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.716 ' HG ' ' HB2' ' A' 1140 ' ' ALA . 60.7 tp . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.026 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.632 0.253 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1084 ' ' MET . . . . . 0.426 ' N ' HD13 ' A' 1141 ' ' LEU . 51.5 ttm -63.5 -32.7 74.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -27.4 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.152 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.93 -56.09 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.314 172.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 64.8 m -62.74 -30.86 71.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.841 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1088 ' ' THR . . . . . 0.589 HG22 HD13 ' A' 1203 ' ' LEU . 15.3 p -69.16 -33.49 73.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.706 0.288 . . . . 0.0 110.907 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.88 -39.48 63.89 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.0 -40.8 81.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.118 0.485 . . . . 0.0 109.977 174.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.523 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -61.97 -54.08 46.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.123 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.56 91.06 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.652 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.958 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.512 ' O ' HG12 ' A' 1098 ' ' VAL . 16.3 m -65.04 -38.71 91.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.052 0.453 . . . . 0.0 109.877 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.872 HG23 ' HB3' ' A' 1196 ' ' LEU . 93.4 m -58.75 -57.02 14.88 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.261 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -61.94 -35.95 79.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.01 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.809 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' 1094 ' ' SER . 8.9 p -70.32 -29.97 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.415 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 10.3 t -61.52 -41.64 97.63 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.227 0.536 . . . . 0.0 109.906 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 39.2 t -70.9 -32.33 69.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.346 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.79 67.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' 1106 ' ' LEU . 28.1 pt -63.26 -27.14 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.117 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.749 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' 1104 ' ' LYS . 23.2 ttmm -74.99 -24.5 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -38.8 81.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 175.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' 1189 ' ' ALA . 31.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.28 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1116 ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' 1104 ' ' LYS . 73.4 m-85 . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.46 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.565 0.541 . . . . 0.0 111.995 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.39 -36.6 78.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.413 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.97 -52.6 58.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.722 0.296 . . . . 0.0 111.166 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.2 61.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.392 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' 1050 ' ' MET . . . -70.31 -28.45 65.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.593 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.26 -30.43 57.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 109.702 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.59 -47.35 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.2 m -59.09 -39.73 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.682 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -59.15 -45.82 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.58 -42.43 98.83 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.167 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.79 -46.33 89.98 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.311 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.7 mt -67.05 -42.31 85.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -66.27 -30.6 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.55 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 18.2 m -78.11 -39.05 42.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -49.05 76.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.35 -48.41 79.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.669 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 49.1 mt-30 -70.7 -35.8 72.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.408 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.75 91.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.12 93.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.643 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' 1132 ' ' ALA . 47.5 mtp180 -54.8 -50.13 69.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -55.94 -50.24 62.48 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.975 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.446 HG11 HD22 ' A' 1203 ' ' LEU . 79.8 t -55.5 -47.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.662 0.267 . . . . 0.0 111.353 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -67.17 -38.82 86.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.038 0.447 . . . . 0.0 111.368 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1140 ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' 1076 ' ' LEU . . . -71.31 -25.86 62.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.61 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' 1084 ' ' MET . 38.2 mt -84.09 -30.75 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.783 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 8.3 t -82.58 155.77 24.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 31.9 p -113.26 4.01 16.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 0.0 110.902 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' 1147 ' ' VAL . 11.4 m-20 -84.53 113.53 49.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -76.2 66.52 7.02 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.471 2.114 . . . . 0.0 112.142 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.45 -56.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.074 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' 1151 ' ' VAL . 18.4 m -64.39 -30.72 50.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.728 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.631 ' O ' ' HG ' ' A' 1152 ' ' LEU . 46.0 mt-30 -53.31 -52.46 59.06 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.129 0.49 . . . . 0.0 110.877 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.4 66.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -40.96 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.791 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -69.58 -36.36 70.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' 1148 ' ' GLN . 38.6 mt -75.38 -42.91 52.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.416 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.0 -41.47 98.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.104 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.623 HG22 ' HE ' ' A' 1198 ' ' ARG . 23.1 p -68.81 -43.99 74.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.524 177.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.52 92.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.701 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1156 ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 10.8 t -68.57 -26.61 65.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.199 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.58 -32.18 60.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1154 ' ' THR . 96.8 t -55.93 -57.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.251 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' 1159 ' ' LEU . 2.1 pt? -77.73 -28.67 50.87 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.109 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -50.07 -44.74 51.97 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.2 0.524 . . . . 0.0 110.627 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.4 mptt -76.46 -28.64 56.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.588 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' 1166 ' ' ILE . . . -69.71 -32.17 70.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.368 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1167 ' ' GLU . 43.1 m -59.34 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.151 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 3.7 p -72.55 -22.52 61.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.877 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.836 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -63.58 -50.86 67.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1162 ' ' ALA . 65.5 mt -68.07 -40.53 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.662 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.448 ' HG2' HD21 ' A' 1054 ' ' LEU . 32.1 mt-10 -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 110.932 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.25 -47.85 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1169 ' ' ALA . . . . . 0.489 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -64.09 -31.59 72.83 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -59.88 -42.07 92.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.074 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.0 mtmm . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.573 178.359 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1183 ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' 1187 ' ' GLN . 59.3 mt-30 . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.511 ' HD2' ' OE1' ' A' 1187 ' ' GLN . 17.5 mmm180 -59.39 -48.31 82.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.786 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' 1106 ' ' LEU . 3.5 mm? -55.22 -45.14 75.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1186 ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' 1190 ' ' LYS . . . -63.96 -40.8 97.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.294 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.511 ' OE1' ' HD2' ' A' 1184 ' ' ARG . 98.1 mt-30 -60.52 -49.83 76.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.096 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.836 HG13 ' HG ' ' A' 1165 ' ' LEU . 14.4 p -76.55 -31.09 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.418 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' 1186 ' ' ALA . 14.5 mmmm -66.87 -29.34 69.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.16 99.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.105 0.479 . . . . 0.0 110.07 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.566 HG21 HD12 ' A' 1165 ' ' LEU . 39.6 t -67.53 -38.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.048 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 22.5 m -60.33 -42.91 96.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.362 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' 1158 ' ' VAL . . . -60.17 -43.47 95.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.949 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' 1095 ' ' THR . 86.2 mt -56.42 -52.57 64.17 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.938 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.95 -38.71 89.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1198 ' ' ARG . . . . . 0.623 ' HE ' HG22 ' A' 1154 ' ' THR . 22.7 ttt180 -60.43 -37.12 79.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.988 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 21.0 t -74.24 -47.92 32.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.23 0.538 . . . . 0.0 110.101 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 17.8 m -69.3 -23.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.22 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.2 t -78.26 -34.97 48.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.682 0.277 . . . . 0.0 111.076 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -81.44 -1.54 46.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 111.443 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.589 HD13 HG22 ' A' 1088 ' ' THR . 94.8 mt -58.72 138.85 86.46 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1204 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 32.0 Cg_exo . . . . . 0 C--O 1.233 0.252 0 C-N-CA 122.854 2.369 . . . . 0.0 112.165 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.48 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 41.8 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 52.0 mtt -71.6 -38.92 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.59 -38.66 85.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 110.526 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1052 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 1056 ' ' VAL . 9.3 m -64.24 -31.64 72.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.806 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.23 41.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.209 0.528 . . . . 0.0 110.419 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -42.96 99.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 14.8 p -61.63 -35.39 77.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1052 ' ' SER . 58.5 t -61.86 -51.66 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.419 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' 1159 ' ' LEU . 63.5 t -57.73 -41.4 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.643 ' O ' ' HG3' ' A' 1062 ' ' LYS . 74.3 mt-30 -57.51 -44.27 84.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -73.49 -28.06 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.164 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.4 mt -67.85 -47.96 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' 1159 ' ' LEU . 11.6 pt-20 -63.96 -40.56 96.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.21 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.643 ' HG3' ' O ' ' A' 1058 ' ' GLN . 28.2 mtpp -62.11 -36.23 81.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.406 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.453 ' O ' HG13 ' A' 1067 ' ' ILE . 21.8 t0 -64.66 -50.54 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.048 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.635 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.9 mt -65.98 -29.54 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.231 -175.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.1 mt-30 -64.07 -38.43 91.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.96 0.409 . . . . 0.0 110.416 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -71.45 -33.0 68.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.397 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1063 ' ' ASP . 68.8 mt -73.58 -32.02 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.795 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1064 ' ' LEU . 98.3 mttt -60.83 -40.0 91.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 109.761 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.54 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.232 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.15 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.191 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.15 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.007 0.432 . . . . 0.0 110.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -66.23 -38.19 87.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.817 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.97 -52.82 57.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.398 0.618 . . . . 0.0 109.95 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 120.17 11.58 6.78 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.949 -172.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -82.57 -68.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.629 0.252 . . . . 0.0 110.822 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' 1140 ' ' ALA . 11.1 mt . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 120.646 0.26 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.3 ttm -66.02 -38.19 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.074 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.33 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1086 ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' 1086 ' ' LYS . 1.2 tmtp? -70.03 -46.63 64.63 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1087 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' 1091 ' ' LEU . 65.0 m -65.38 -44.33 87.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.385 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 28.9 p -64.77 -37.74 88.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.47 -47.26 67.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.331 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.78 -44.42 96.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.776 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.3 OUTLIER -53.91 -54.17 42.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.871 177.55 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.11 95.22 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.087 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1093 ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 94.9 m-20 -64.88 -35.71 82.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.74 0.27 . . . . 0.0 111.384 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.583 ' O ' HG12 ' A' 1098 ' ' VAL . 50.3 m -75.3 -35.28 61.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.774 0.321 . . . . 0.0 110.173 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.69 HG23 HD13 ' A' 1196 ' ' LEU . 22.9 m -56.31 -56.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.459 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 57.5 pttt -63.6 -35.63 81.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.006 0.432 . . . . 0.0 110.649 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.44 -59.74 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.33 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 1094 ' ' SER . 6.0 p -68.14 -27.67 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.584 0.23 . . . . 0.0 110.986 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.8 t -65.49 -42.25 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 64.4 m -75.54 -25.83 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.087 0.47 . . . . 0.0 110.564 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.04 -43.39 67.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.21 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.476 ' HA ' HD12 ' A' 1105 ' ' LEU . 16.4 pt -65.87 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 178.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.47 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.047 0.451 . . . . 0.0 110.05 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -75.04 -29.75 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.514 HD13 HD22 ' A' 1165 ' ' LEU . 84.0 mt -64.38 -42.37 96.19 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.905 173.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.826 173.718 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 14.9 m-30 . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.74 -51.81 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.231 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -77.6 -43.51 15.03 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.005 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.87 -50.34 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -69.38 -38.34 77.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.06 -37.81 88.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.423 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -64.8 -42.15 95.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.317 0.58 . . . . 0.0 110.316 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.41 -39.87 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.181 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.724 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.3 m -64.37 -44.25 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.457 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -60.46 -45.89 92.08 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.84 0.353 . . . . 0.0 110.562 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.95 99.77 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.155 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1127 ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' 1131 ' ' LEU . . . -63.12 -39.89 98.53 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.191 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' A' 1124 ' ' VAL . 71.7 mt -70.33 -29.37 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 -176.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1125 ' ' ALA . 25.5 mtm180 -62.2 -55.4 28.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.399 0.619 . . . . 0.0 110.04 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 16.5 m -65.38 -34.52 78.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.623 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' 1127 ' ' GLY . 0.5 OUTLIER -55.86 -48.97 74.57 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.587 175.358 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.635 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.33 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.068 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -52.16 -55.03 23.55 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.579 0.549 . . . . 0.0 112.113 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.79 79.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.14 83.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.287 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.2 mmp_? -67.64 -44.17 78.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.027 0.441 . . . . 0.0 109.879 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.531 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -59.82 -47.29 91.71 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.133 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.553 HG21 HD22 ' A' 1203 ' ' LEU . 55.0 t -51.95 -51.69 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.658 0.266 . . . . 0.0 111.276 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.426 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.34 -32.79 74.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.688 -177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1140 ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.68 -26.48 54.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.419 -178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' 1137 ' ' GLY . 93.9 mt -83.94 -39.46 19.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.435 -177.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.616 HG23 ' HG2' ' A' 1148 ' ' GLN . 7.3 t -79.74 150.76 30.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.97 0.414 . . . . 0.0 110.537 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 20.1 m -109.57 8.34 25.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.716 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' 1148 ' ' GLN . 32.2 t70 -80.53 112.34 30.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.6 Cg_exo -74.95 67.45 5.89 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.894 2.396 . . . . 0.0 111.884 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.04 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.342 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' 1151 ' ' VAL . 33.9 m -69.23 -27.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.131 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.657 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.1 mt-30 -59.77 -52.95 63.27 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 120.754 0.311 . . . . 0.0 111.275 -178.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.86 69.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.183 0.515 . . . . 0.0 110.765 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' 1150 ' ' ILE . 1.4 mm -69.78 -43.86 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.771 -175.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' 1147 ' ' VAL . 3.0 p -66.11 -32.17 56.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.336 0.588 . . . . 0.0 110.868 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -74.79 -43.66 53.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.18 -46.26 87.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.483 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.613 ' O ' HG23 ' A' 1158 ' ' VAL . 8.7 p -58.76 -50.02 75.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.415 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1155 ' ' ALA . . . . . 0.485 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -57.91 -34.08 69.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 111.119 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.96 78.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.19 -32.92 74.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' 1154 ' ' THR . 29.6 t -57.97 -56.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.218 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1160 ' ' ASP . 4.4 pp -70.49 -29.47 66.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.918 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' 1159 ' ' LEU . 20.3 t70 -55.14 -49.47 71.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.057 0.456 . . . . 0.0 110.524 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.0 mptt -74.24 -30.95 62.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.53 -35.63 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 30.0 t -59.11 -51.86 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.064 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' 1168 ' ' GLU . 9.8 m -63.21 -34.49 77.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.345 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.621 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -62.86 -50.64 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' 1170 ' ' LYS . 7.1 mt-10 -69.42 -36.61 76.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.852 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' 1185 ' ' LEU . 7.7 tp10 -61.8 -46.97 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1169 ' ' ALA . . . . . 0.423 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -68.05 -30.75 70.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1170 ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' 1167 ' ' GLU . 34.8 ttpt -58.52 -39.74 80.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.138 174.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.4 mtmm . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.502 176.658 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -61.13 -49.54 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.415 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.581 HD22 ' HG3' ' A' 1168 ' ' GLU . 4.4 mm? -62.68 -46.77 86.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.31 85.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 111.558 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -66.64 -52.31 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.48 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.621 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.0 p -69.43 -32.57 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -64.55 -51.19 64.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.53 -22.59 61.0 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.409 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.91 95.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.758 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.495 HG21 HD12 ' A' 1165 ' ' LEU . 87.9 t -58.74 -44.55 90.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.699 173.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1193 ' ' THR . . . . . 0.616 ' HA ' ' HG ' ' A' 1196 ' ' LEU . 2.4 m -62.07 -43.73 98.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.511 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -63.44 -27.53 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.52 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -76.39 -49.04 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.69 HD13 HG23 ' A' 1095 ' ' THR . 4.3 pp -65.36 -41.9 93.35 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.548 0.689 . . . . 0.0 110.912 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.62 ' N ' HD12 ' A' 1196 ' ' LEU . 0.1 OUTLIER -64.24 -33.2 75.27 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.431 178.446 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -75.59 -29.5 59.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.159 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1199 ' ' CYS . . . . . 0.454 ' O ' ' HG ' ' A' 1203 ' ' LEU . 10.1 t -65.86 -43.73 87.55 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.19 0.519 . . . . 0.0 109.641 -173.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.659 HG12 HD12 ' A' 1091 ' ' LEU . 31.3 m -67.28 -31.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.343 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 53.7 m -77.38 -21.65 52.89 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.737 0.304 . . . . 0.0 111.578 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 77.3 m -83.2 -18.64 38.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.859 0.361 . . . . 0.0 110.757 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' 1091 ' ' LEU . 84.8 mt -66.05 140.27 96.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.122 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.464 -0.257 0 C-N-CA 122.571 2.181 . . . . 0.0 111.422 174.827 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 49.1 mm-40 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.2 mtt -54.93 -55.16 33.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.872 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -38.51 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.789 -173.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 6.8 t -77.49 -39.72 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.671 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' 1057 ' ' VAL . . . -63.53 -36.86 85.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 65.9 tp -54.51 -44.92 73.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.601 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 48.0 m -58.03 -39.91 79.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.707 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.2 t -64.07 -46.91 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1053 ' ' ALA . 30.0 t -64.6 -38.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.13 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.67 -28.8 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 0.0 111.406 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -75.97 -26.32 56.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.807 0.337 . . . . 0.0 110.574 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' 1064 ' ' LEU . 85.4 mt -70.85 -47.78 57.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.82 ' HB3' HD11 ' A' 1159 ' ' LEU . 5.2 pt-20 -59.43 -39.92 85.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.3 mttp -74.29 -26.1 59.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.88 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.81 -47.33 66.38 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.705 HD21 ' HB1' ' A' 1132 ' ' ALA . 30.7 mt -60.04 -32.03 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' 1061 ' ' GLU . 79.0 mt-30 -61.5 -38.42 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.299 . . . . 0.0 110.765 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.7 -48.25 64.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.144 0.497 . . . . 0.0 110.357 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.671 HG12 ' HD2' ' A' 1136 ' ' ARG . 2.0 mp -64.26 -33.9 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.476 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -64.69 -39.72 94.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 110.311 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.38 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.76 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.716 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' 1072 ' ' ARG . 9.9 tpt180 -59.35 -55.35 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.645 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.68 -30.63 65.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 101.0 39.81 3.01 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -120.86 19.04 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 1076 ' ' LEU . 36.4 mt . . . . . 0 C--N 1.33 -0.242 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.29 -34.78 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.21 -31.13 71.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1086 ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' 1086 ' ' LYS . 17.3 mmmt -79.18 -46.16 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.674 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 78.6 m -60.64 -41.11 94.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.712 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1088 ' ' THR . . . . . 0.414 HG22 HD13 ' A' 1203 ' ' LEU . 31.9 p -70.57 -41.44 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -31.81 73.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.665 HD23 HD11 ' A' 1203 ' ' LEU . 16.1 tp -62.62 -51.58 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -60.97 -39.72 97.42 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.458 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1093 ' ' ASN . . . . . 0.535 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.6 m-20 -66.07 -40.64 91.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.668 0.27 . . . . 0.0 110.978 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 21.2 m -67.4 -31.0 70.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.2 m -59.23 -50.65 73.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.702 175.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 49.0 mtmt -59.95 -39.6 86.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.83 42.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.754 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.477 HG21 HD21 ' A' 1128 ' ' LEU . 7.7 p -75.48 -23.2 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.672 0.272 . . . . 0.0 111.13 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 27.2 t -66.79 -39.05 87.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.765 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 9.2 p -75.04 -28.32 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.223 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.97 64.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.347 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.7 pt -64.05 -22.85 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.95 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.68 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.914 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 71.7 mmtt -77.04 -24.74 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.601 HD13 HD22 ' A' 1165 ' ' LEU . 70.0 mt -64.66 -24.31 67.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.1 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' 1106 ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.784 0.325 . . . . 0.0 110.312 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.82 75.79 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.997 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -71.11 -43.9 55.43 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.33 -43.24 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 111.176 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -64.82 -50.03 68.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.221 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.581 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.07 -31.01 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1122 ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' A' 1049 ' ' GLU . 8.2 tpt180 -70.47 -40.43 73.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.248 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.55 -36.2 44.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.72 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.5 m -59.14 -41.4 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.456 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -59.13 -41.16 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.637 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -68.76 -41.8 81.8 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.042 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.46 90.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.36 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.6 mt -66.92 -40.97 87.79 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -69.55 -26.89 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.584 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 13.3 m -79.3 -37.66 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.401 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -60.35 -53.23 60.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.825 178.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.9 -48.82 77.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.055 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -65.6 -37.92 88.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.567 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.1 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.581 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.73 97.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.085 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.671 ' HD2' HG12 ' A' 1067 ' ' ILE . 51.2 mtm180 -60.88 -37.67 82.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.602 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -62.23 -49.69 72.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.694 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 74.3 t -53.39 -46.15 57.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.077 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.12 -43.6 98.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.584 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.76 64.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' 1137 ' ' GLY . 53.3 mt -88.13 -29.51 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.065 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.509 HG21 HG23 ' A' 1147 ' ' VAL . 4.6 t -74.07 153.33 39.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 9.5 m -82.4 -46.48 13.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.172 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.68 117.09 38.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.963 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.57 65.59 8.9 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.443 2.096 . . . . 0.0 111.752 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -162.35 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.79 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.509 HG23 HG21 ' A' 1142 ' ' THR . 27.2 m -63.54 -22.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.021 171.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' 1152 ' ' LEU . 78.7 mt-30 -55.65 -47.05 77.31 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.459 173.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.18 66.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -67.93 -39.47 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.716 -176.005 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' 1147 ' ' VAL . 2.8 p -68.97 -35.87 71.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.099 0.476 . . . . 0.0 110.571 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' 1148 ' ' GLN . 39.7 mt -75.42 -42.19 54.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.44 -49.29 72.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.572 ' O ' HG23 ' A' 1158 ' ' VAL . 11.1 p -65.76 -40.58 92.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.42 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.07 0.462 . . . . 0.0 110.529 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 30.6 m -67.61 -42.48 82.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.237 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.35 -39.27 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.588 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 1154 ' ' THR . 91.9 t -56.23 -59.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.6 pp -67.88 -30.44 69.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -60.21 -48.94 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.973 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.6 mptt -71.52 -30.95 66.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1166 ' ' ILE . . . -66.59 -34.7 78.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.227 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' 1167 ' ' GLU . 50.1 m -63.24 -52.09 63.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.321 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.643 ' O ' ' HG2' ' A' 1168 ' ' GLU . 8.3 m -61.07 -38.29 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.262 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.844 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -54.56 -52.27 62.61 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 175.134 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' 1050 ' ' MET . 83.8 mt -60.99 -46.06 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.038 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1163 ' ' SER . 40.7 mt-10 -56.73 -59.07 5.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.36 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.69 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 13.6 pt-20 -72.87 -23.88 60.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.48 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.65 93.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.384 . . . . 0.0 110.276 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -63.15 -37.41 87.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.108 0.48 . . . . 0.0 109.996 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 57.3 mtmt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.173 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 10.8 tm0? . . . . . 0 N--CA 1.443 -0.822 0 CA-C-O 121.238 0.542 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.475 ' HB3' ' OE1' ' A' 1168 ' ' GLU . 13.7 mtp180 -68.16 -43.22 78.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.919 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 85.6 mt -53.05 -42.23 65.58 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.05 0.453 . . . . 0.0 111.124 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.68 84.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.97 -38.63 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.65 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.844 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.9 p -71.82 -32.01 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.425 0.631 . . . . 0.0 109.892 174.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' 1193 ' ' THR . 43.9 mmtm -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.969 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.75 90.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.338 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 21.7 t -65.88 -38.24 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.301 0.572 . . . . 0.0 109.73 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1193 ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' 1190 ' ' LYS . 71.9 m -53.0 -49.1 66.89 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.465 177.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -76.03 -36.57 59.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.374 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.1 88.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.845 ' HB3' HG23 ' A' 1095 ' ' THR . 66.7 mt -57.82 -52.48 65.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.245 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -62.48 -38.21 88.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.692 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1198 ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' 1198 ' ' ARG . 37.1 ttm180 -66.84 -31.02 71.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.854 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -50.07 31.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -67.16 -22.08 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.737 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 33.1 t -75.64 -27.81 58.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.1 0.476 . . . . 0.0 110.55 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1202 ' ' CYS . . . . . 0.526 ' HB3' HG23 ' A' 1150 ' ' ILE . 79.7 m -84.91 -1.66 56.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.665 HD11 HD23 ' A' 1091 ' ' LEU . 91.2 mt -67.77 130.1 93.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo . . . . . 0 C--O 1.235 0.364 0 C-N-CA 122.684 2.256 . . . . 0.0 112.144 179.642 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 CA--C 1.522 -0.128 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.3 mtt -72.03 -40.93 68.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.613 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -44.7 92.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.711 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1052 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1056 ' ' VAL . 49.2 m -71.67 -33.41 68.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.173 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.32 87.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.078 0.466 . . . . 0.0 110.199 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' 1057 ' ' VAL . 55.8 tp -64.61 -41.14 96.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.283 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 74.4 m -59.24 -42.37 90.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.429 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1052 ' ' SER . 97.5 t -60.66 -54.22 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.834 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' 1054 ' ' LEU . 9.9 p -64.78 -34.67 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.389 -175.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' 1062 ' ' LYS . 84.3 mt-30 -70.58 -28.14 64.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 111.55 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1059 ' ' ASN . . . . . 0.774 ' HA ' ' HE3' ' A' 1062 ' ' LYS . 22.5 m-80 -76.41 -36.61 57.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 173.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.7 mt -62.05 -45.77 92.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.217 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.818 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -62.85 -31.59 72.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.217 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.774 ' HE3' ' HA ' ' A' 1059 ' ' ASN . 9.0 mtmp? -62.1 -52.65 63.03 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' 1067 ' ' ILE . 1.5 m-20 -58.36 -46.75 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.538 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.746 HD21 ' HB1' ' A' 1132 ' ' ALA . 5.0 mt -61.99 -39.43 92.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.335 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.24 -40.85 98.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1066 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1062 ' ' LYS . 43.1 mt-10 -62.87 -41.52 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.417 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.806 HG21 ' HG3' ' A' 1136 ' ' ARG . 77.8 mt -67.67 -36.94 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.891 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.98 -46.32 91.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.23 83.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.433 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.1 -50.03 73.55 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.808 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -60.64 -45.25 94.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.76 -44.8 96.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.926 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.31 -22.58 57.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.07 30.33 8.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.069 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -115.73 15.66 16.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.91 0.386 . . . . 0.0 110.456 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 42.4 tp . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.574 0.226 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.17 -30.61 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.97 -36.43 74.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.607 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -69.05 -45.33 70.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.188 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 69.7 m -66.51 -38.43 87.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.763 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1088 ' ' THR . . . . . 0.492 HG22 HD13 ' A' 1203 ' ' LEU . 30.7 p -67.65 -39.94 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.517 . . . . 0.0 110.45 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.52 -48.89 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.96 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.49 -36.62 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.536 HD22 HD21 ' A' 1203 ' ' LEU . 17.7 tp -60.86 -54.0 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.307 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.56 95.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.177 -0.535 . . . . 0.0 112.669 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1093 ' ' ASN . . . . . 0.461 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 30.4 m-80 -65.58 -45.13 84.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.0 m -65.06 -30.69 71.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.754 0.311 . . . . 0.0 110.642 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.852 HG23 ' HB3' ' A' 1196 ' ' LEU . 77.0 m -60.1 -55.91 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.809 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 64.6 pttt -67.83 -32.9 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -54.37 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.536 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.587 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.7 p -73.48 -23.05 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.7 t -67.05 -34.5 77.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.303 0.573 . . . . 0.0 109.84 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 42.9 m -74.16 -25.22 59.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 110.0 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.488 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -72.44 -49.31 34.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.817 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.9 pt -64.43 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 120.752 0.311 . . . . 0.0 110.581 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.18 95.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 53.3 mttp -75.66 -38.2 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.16 -28.34 68.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.541 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' 1185 ' ' LEU . 36.0 tp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.845 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.1 -49.92 19.69 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.7 -45.74 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.67 0.271 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.9 -41.82 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.684 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -67.4 -33.04 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.228 0.537 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -71.72 -33.13 68.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.213 0.53 . . . . 0.0 109.976 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1123 ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 29.6 t70 -78.26 -38.54 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.669 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.4 m -59.29 -38.32 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.434 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -61.07 -38.73 87.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.349 . . . . 0.0 110.77 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -74.47 -42.08 34.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.35 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1127 ' ' GLY . . . . . 0.473 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -62.35 -40.08 98.58 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.493 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' 1124 ' ' VAL . 82.6 mt -68.31 -29.81 68.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.623 0.249 . . . . 0.0 110.955 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1125 ' ' ALA . 63.0 mtt180 -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.2 0.524 . . . . 0.0 110.183 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 21.5 m -56.69 -41.5 77.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.392 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.461 HD22 HD12 ' A' 1091 ' ' LEU . 1.9 tm? -57.7 -49.17 77.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.746 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -62.72 -42.88 99.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.421 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 1129 ' ' ARG . 96.8 mt-30 -61.89 -44.28 97.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.311 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1134 ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' 1138 ' ' VAL . . . -63.57 -47.43 81.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.806 ' HG3' HG21 ' A' 1067 ' ' ILE . 4.6 mpt_? -66.51 -36.23 82.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.52 -41.27 96.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.881 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1134 ' ' ALA . 77.1 t -55.95 -45.91 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 0.0 111.351 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.54 90.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.8 69.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.98 0.419 . . . . 0.0 110.933 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.89 -37.74 84.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.05 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.468 HG21 HG23 ' A' 1147 ' ' VAL . 14.0 t -68.82 -38.34 79.8 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.438 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.6 m 61.27 13.24 4.72 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' 1148 ' ' GLN . 23.5 m-20 -94.39 116.78 66.8 Favored Pre-proline 0 C--O 1.233 0.215 0 O-C-N 122.167 -0.333 . . . . 0.0 110.201 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 8.6 Cg_exo -72.13 68.48 3.27 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 123.306 2.671 . . . . 0.0 112.298 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.37 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.141 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' 1151 ' ' VAL . 21.5 m -72.73 -22.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.153 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.708 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.75 -52.61 63.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.892 0.377 . . . . 0.0 110.204 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.8 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -44.84 40.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.766 -175.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -68.64 -31.27 50.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.459 0.647 . . . . 0.0 110.899 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 1148 ' ' GLN . 30.7 mt -78.23 -40.41 37.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.235 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -50.64 67.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.378 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' 1198 ' ' ARG . 21.4 p -60.28 -48.58 81.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.531 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.31 70.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 111.366 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 10.8 t -80.38 -25.96 38.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.048 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1157 ' ' ASP . . . . . 0.569 ' OD1' ' HE2' ' A' 1161 ' ' LYS . 37.9 t70 -71.83 -32.74 67.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1154 ' ' THR . 83.9 t -56.81 -60.58 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.898 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' 1061 ' ' GLU . 3.0 pp -66.09 -29.21 69.49 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.679 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.605 ' N ' HD12 ' A' 1159 ' ' LEU . 27.1 t70 -50.8 -53.12 34.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.021 0.439 . . . . 0.0 110.876 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.569 ' HE2' ' OD1' ' A' 1157 ' ' ASP . 3.2 mptp? -77.25 -29.01 53.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.369 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -63.64 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.574 0.226 . . . . 0.0 111.085 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' 1167 ' ' GLU . 39.3 m -58.22 -47.01 84.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 17.3 m -69.24 -28.83 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.908 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.7 tt -62.67 -46.73 86.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1162 ' ' ALA . 70.4 mt -67.76 -41.2 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.81 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' 1163 ' ' SER . 51.5 mt-10 -61.45 -49.21 77.72 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.522 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.44 ' HG3' HD22 ' A' 1185 ' ' LEU . 25.1 tp10 -58.17 -45.72 87.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.81 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1169 ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -64.35 -47.05 80.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.147 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.43 -34.63 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.433 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' 1171 ' ' LYS . 35.3 ttpt . . . . . 0 N--CA 1.441 -0.883 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.317 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1183 ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' 1187 ' ' GLN . 93.4 mt-30 . . . . . 0 CA--C 1.521 -0.141 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -55.21 -45.41 75.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.127 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.561 ' HB3' HD12 ' A' 1106 ' ' LEU . 0.8 OUTLIER -54.17 -44.67 71.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 177.195 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.52 80.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' 1183 ' ' GLN . 86.3 mt-30 -61.09 -49.64 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.908 HG13 ' HG ' ' A' 1165 ' ' LEU . 12.0 p -72.05 -33.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -62.84 -44.4 96.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.238 0.542 . . . . 0.0 110.018 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.492 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.95 88.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.51 HG21 HD12 ' A' 1165 ' ' LEU . 95.6 t -61.28 -38.82 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.0 110.31 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 28.6 m -59.93 -42.51 94.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.713 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.07 -33.26 67.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.276 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.27 90.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.832 0.348 . . . . 0.0 110.081 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.852 ' HB3' HG23 ' A' 1095 ' ' THR . 80.7 mt -59.45 -44.4 92.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.776 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.58 -37.73 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.819 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1198 ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' 1154 ' ' THR . 20.9 ttp180 -70.7 -25.09 62.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1199 ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' 1154 ' ' THR . 72.6 m -71.49 -49.38 41.78 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 109.892 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -71.84 -23.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.807 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 8.9 t -78.42 -32.42 48.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -83.76 -2.4 56.21 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.524 0.202 . . . . 0.0 111.534 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.536 HD21 HD22 ' A' 1091 ' ' LEU . 76.2 mt -57.84 124.82 70.98 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.619 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 N--CA 1.462 -0.353 0 C-N-CA 122.931 2.421 . . . . 0.0 112.268 178.903 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.131 0.491 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.55 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.3 mtt -56.66 -40.55 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.9 175.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.06 -41.87 77.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -36.5 74.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' 1056 ' ' VAL . . . -66.46 -40.82 89.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 0.0 110.192 174.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.552 HD13 ' HB ' ' A' 1166 ' ' ILE . 51.0 tp -59.78 -33.88 72.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.672 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -61.93 -41.9 98.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.541 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' 1053 ' ' ALA . 6.1 m -72.38 -24.7 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1053 ' ' ALA . 63.0 t -71.6 -41.1 71.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.295 176.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.64 -28.58 69.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.414 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -76.36 -34.35 58.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 110.471 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.59 HD11 ' HG2' ' A' 1129 ' ' ARG . 96.2 mt -67.66 -44.77 77.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 10.4 pt-20 -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.99 -39.98 90.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.853 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' 1067 ' ' ILE . 31.2 m-20 -61.72 -46.62 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.462 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.71 HD12 HD21 ' A' 1159 ' ' LEU . 56.4 mt -65.78 -34.19 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.425 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' 1061 ' ' GLU . 99.3 mt-30 -62.61 -38.33 89.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.422 . . . . 0.0 110.756 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.22 -43.15 67.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' 1063 ' ' ASP . 82.5 mt -65.0 -33.3 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.425 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.529 ' HE3' ' HB2' ' A' 1153 ' ' ASP . 23.8 tptm -57.72 -48.51 79.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.455 177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.58 94.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -74.48 -27.79 60.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -66.48 -43.02 86.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.904 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.27 -36.16 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 109.9 11.76 19.99 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.939 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -79.68 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' 1139 ' ' ALA . 5.4 mt . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 115.208 -0.905 . . . . 0.0 113.114 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1083 ' ' THR . . . . . 0.556 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 1.2 p . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.633 0.254 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.2 ttm -56.4 -37.85 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.227 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.556 ' OE1' ' HB ' ' A' 1083 ' ' THR . 9.6 pm0 -62.62 -35.13 78.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.661 0.267 . . . . 0.0 110.715 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.13 -40.06 28.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.95 -40.03 96.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.644 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 19.5 p -72.42 -28.75 63.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 110.613 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.24 -47.51 61.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.61 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.04 -27.46 67.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.338 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.787 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.9 OUTLIER -57.6 -52.91 63.49 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.033 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.99 -40.59 99.49 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.447 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -60.8 -46.66 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.656 0.265 . . . . 0.0 110.787 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 16.9 m -63.26 -37.36 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 110.181 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1095 ' ' THR . . . . . 1.003 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.4 m -55.61 -53.56 55.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.789 175.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' 1092 ' ' GLY . 51.0 mtmt -66.34 -34.55 78.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.964 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.17 -55.26 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.514 HG21 HD21 ' A' 1128 ' ' LEU . 10.9 p -72.16 -24.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.617 -178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 42.6 t -63.87 -40.61 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 110.32 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1100 ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' 1104 ' ' LYS . 25.1 m -73.82 -25.71 60.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.135 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -75.02 -46.56 34.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.546 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.5 pt -64.7 -27.32 42.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.794 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.3 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.83 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1100 ' ' SER . 94.2 mttt -70.77 -32.75 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.524 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.38 -25.53 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.473 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.86 -178.446 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1117 ' ' ALA . . . . . 0.526 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -59.35 -35.82 74.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.043 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.76 96.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.956 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.42 -37.87 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.19 70.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.323 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.55 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.86 -30.12 71.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.266 0.555 . . . . 0.0 110.831 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -75.37 -30.11 60.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.34 0.59 . . . . 0.0 109.985 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.09 -41.58 49.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.599 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.756 ' O ' ' HG ' ' A' 1128 ' ' LEU . 30.7 m -62.1 -42.95 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.765 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -59.85 -38.84 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.065 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.16 -43.45 98.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.999 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.15 -36.25 92.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.024 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' 1124 ' ' VAL . 42.5 mt -71.13 -36.75 72.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.59 ' HG2' HD11 ' A' 1060 ' ' LEU . 42.2 mtm180 -60.62 -53.34 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 0.0 110.491 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -60.56 -36.55 78.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.217 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -53.13 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1132 ' ' ALA . . . . . . . . . . . . . . . -58.22 -38.48 76.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.702 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.62 -46.23 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.85 66.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.61 -54.93 32.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1136 ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -68.17 -23.95 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.01 -48.28 72.8 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.5 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.6 -44.24 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.567 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' 1076 ' ' LEU . . . -61.33 -43.76 98.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.476 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.98 -26.91 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.45 -39.3 38.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.552 HG21 HG23 ' A' 1147 ' ' VAL . 6.7 t -73.47 -43.97 59.02 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.435 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 16.6 t 57.28 29.94 17.62 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.296 0.57 . . . . 0.0 110.49 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' 1148 ' ' GLN . 19.1 t70 -109.48 113.7 57.96 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.41 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 15.0 Cg_exo -69.17 68.24 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 0.0 112.954 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.03 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.717 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.552 HG23 HG21 ' A' 1142 ' ' THR . 21.7 m -80.37 -22.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.589 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.644 ' HB3' ' HB1' ' A' 1071 ' ' ALA . 28.1 mt-30 -53.78 -56.15 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.19 0.519 . . . . 0.0 110.675 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.81 71.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.3 OUTLIER -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 -174.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.81 -34.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.086 0.47 . . . . 0.0 110.992 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.5 mt -77.4 -41.33 40.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.222 0.534 . . . . 0.0 110.48 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1153 ' ' ASP . . . . . 0.529 ' HB2' ' HE3' ' A' 1068 ' ' LYS . 15.6 t70 -55.9 -45.73 78.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.04 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.479 ' O ' HG23 ' A' 1158 ' ' VAL . 17.6 p -69.08 -42.93 75.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 28.0 t -68.94 -27.37 65.69 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.369 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.7 -35.2 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1154 ' ' THR . 94.6 t -55.01 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.902 177.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.71 HD21 HD12 ' A' 1064 ' ' LEU . 3.3 pp -67.44 -29.22 68.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.273 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' 1159 ' ' LEU . 28.2 t70 -55.8 -50.55 70.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.6 mptt -72.75 -33.44 66.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.367 178.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.44 -30.2 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 41.2 m -62.02 -52.05 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.005 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 15.7 m -65.92 -30.95 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.518 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.656 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.2 tt -59.11 -52.37 66.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.552 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.5 mt -67.07 -42.45 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.229 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.47 -44.3 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.87 -37.32 86.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.138 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.07 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.181 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.42 -35.59 77.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.173 0.511 . . . . 0.0 110.11 175.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 177.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -65.44 -44.31 87.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.882 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.18 -46.13 75.81 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.984 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.63 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.215 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.02 -47.28 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -70.24 -33.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.054 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -65.86 -48.38 71.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -69.59 -22.12 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.709 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -66.28 -33.41 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 109.776 173.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.446 HG21 HD12 ' A' 1165 ' ' LEU . 46.2 t -69.21 -43.05 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.373 174.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1193 ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' 1196 ' ' LEU . 12.9 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.978 176.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1194 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' 1190 ' ' LYS . 82.7 mm-40 -62.66 -43.47 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.907 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.41 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.636 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1196 ' ' LEU . . . . . 1.003 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -58.44 -52.53 65.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.186 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 11.3 t30 -67.37 -33.48 75.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.114 0.483 . . . . 0.0 110.408 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -64.9 -30.49 71.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1199 ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' 1203 ' ' LEU . 18.2 t -73.49 -50.24 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' 1203 ' ' LEU . 30.1 m -68.43 -21.97 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 40.8 t -70.17 -45.27 67.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.461 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 28.7 p -77.2 -17.89 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.227 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' 1091 ' ' LEU . 52.3 mt -60.8 123.33 74.29 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 N--CA 1.455 -0.751 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 177.408 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.416 ' HA ' ' OG ' ' A' 1052 ' ' SER . 8.2 tp10 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 47.3 mtt -66.69 -38.21 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.188 0.518 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.96 -39.53 72.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1052 ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' 1049 ' ' GLU . 3.1 p -71.07 -38.56 72.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.728 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.1 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.518 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.02 -38.05 87.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 32.6 t -63.34 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.921 0.391 . . . . 0.0 110.003 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' 1060 ' ' LEU . 76.1 t -62.46 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 46.8 t -64.5 -37.77 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.843 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 55.0 mt-30 -63.6 -28.12 69.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.161 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -75.59 -39.33 58.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.945 0.402 . . . . 0.0 110.231 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' 1129 ' ' ARG . 95.9 mt -62.75 -48.56 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.182 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.2 pt-20 -59.96 -35.64 75.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.567 ' HB3' ' NZ ' ' A' 1062 ' ' LYS . 9.2 mtpm? -69.89 -45.79 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.091 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.25 -48.21 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.872 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.5 mt -62.08 -35.55 78.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.872 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.95 -36.95 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 0.0 110.692 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.35 -31.06 62.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' 1063 ' ' ASP . 37.8 mt -72.43 -24.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.012 174.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' 1064 ' ' LEU . 58.1 mtpt -67.84 -39.94 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.907 0.384 . . . . 0.0 110.116 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.85 92.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.839 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.85 77.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.463 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.73 74.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.102 0.477 . . . . 0.0 111.102 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' 1072 ' ' ARG . 13.2 tpp180 -64.1 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.116 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -30.32 69.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.785 0.326 . . . . 0.0 111.44 -173.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.01 14.16 10.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.47 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -104.62 18.55 22.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.901 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' 1140 ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.7 0.285 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1084 ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' 1141 ' ' LEU . 44.5 ttm -68.93 -41.21 78.41 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -22.28 66.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 -176.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.7 -54.9 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.849 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 72.1 m -66.61 -41.79 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.935 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.8 p -65.89 -39.81 90.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -72.17 -40.06 68.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.64 -34.03 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.026 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.559 HD12 HD22 ' A' 1131 ' ' LEU . 20.6 tp -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.82 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -65.11 -43.7 95.22 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.189 177.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -61.05 -43.52 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.868 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.594 ' O ' HG23 ' A' 1098 ' ' VAL . 19.5 m -61.5 -45.3 94.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.208 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1095 ' ' THR . . . . . 1.079 HG23 ' HB3' ' A' 1196 ' ' LEU . 52.9 m -51.6 -56.06 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -55.62 -42.55 75.08 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.342 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' 1094 ' ' SER . 21.8 t -68.45 -37.41 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.542 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.8 m -59.56 -41.24 89.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -70.53 -39.29 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 110.154 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.656 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -66.84 -47.8 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.939 -176.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.9 pt -63.79 -26.11 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.543 0.211 . . . . 0.0 111.316 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.7 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.127 0.489 . . . . 0.0 110.659 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.656 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 47.9 pttt -70.46 -24.04 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.08 -41.94 70.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.372 176.619 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1116 ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' A' 1104 ' ' LYS . 26.0 m-85 . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.93 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.28 -42.62 10.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.715 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.2 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.342 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' 1104 ' ' LYS . . . -69.54 -39.2 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.632 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.06 86.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.198 0.523 . . . . 0.0 110.565 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1122 ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' 1122 ' ' ARG . 21.1 ttt180 -75.86 -27.29 57.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.181 0.515 . . . . 0.0 110.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.4 -44.05 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' 1128 ' ' LEU . 11.7 m -63.58 -45.28 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.341 174.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.91 -44.12 73.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.683 0.277 . . . . 0.0 111.33 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.13 32.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -63.99 -35.83 92.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.813 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 1124 ' ' VAL . 94.5 mt -69.05 -25.39 64.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.899 -0.177 . . . . 0.0 111.199 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.741 ' HG2' HD21 ' A' 1060 ' ' LEU . 20.7 mtm180 -64.93 -48.75 73.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.564 175.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 24.3 m -62.85 -42.1 99.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.316 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.559 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -56.2 -51.9 66.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 178.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.872 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.11 -51.62 69.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.726 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.45 -41.63 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.588 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.65 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.003 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.232 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1132 ' ' ALA . 12.4 mmm180 -67.83 -37.75 82.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.239 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.448 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -44.02 97.38 Favored Glycine 0 C--O 1.227 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.14 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.402 ' HB ' HG21 ' A' 1151 ' ' VAL . 53.0 t -54.99 -45.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.67 0.271 . . . . 0.0 111.288 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.43 -28.0 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.449 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1140 ' ' ALA . . . . . 0.566 ' HB2' HD22 ' A' 1076 ' ' LEU . . . -77.21 -44.44 30.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1084 ' ' MET . 40.6 mt -64.4 -32.55 74.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.653 -176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.0 t -84.91 152.76 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 40.5 m -116.33 12.23 15.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.228 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.479 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 39.3 m-20 -89.97 107.52 19.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.135 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.8 Cg_exo -75.15 68.62 5.84 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.212 2.608 . . . . 0.0 112.556 -175.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -166.48 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.355 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1147 ' ' VAL . . . . . . . . . . . . . 35.1 m -69.62 -22.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.718 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.707 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.8 mt-30 -58.2 -47.82 82.27 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.707 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.83 65.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.792 0.329 . . . . 0.0 110.606 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' 1202 ' ' CYS . 0.4 OUTLIER -69.66 -40.03 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.589 -174.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.468 ' HA ' ' SG ' ' A' 1202 ' ' CYS . 2.7 p -70.39 -31.28 46.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.326 0.584 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 1148 ' ' GLN . 25.9 mt -78.06 -40.55 38.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.88 -45.76 82.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.391 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' 1198 ' ' ARG . 33.9 p -67.77 -39.78 84.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.154 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.21 94.48 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.468 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.5 t -63.38 -33.45 75.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.103 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1157 ' ' ASP . . . . . 0.411 ' O ' ' HD2' ' A' 1161 ' ' LYS . 35.8 t70 -72.08 -37.17 69.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.194 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1154 ' ' THR . 67.1 t -59.12 -56.31 17.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.7 pp -62.9 -31.46 72.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.854 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.433 ' N ' HD12 ' A' 1159 ' ' LEU . 12.7 t70 -53.55 -53.48 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.816 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.486 ' HG2' ' HB1' ' A' 1191 ' ' ALA . 7.9 mttp -77.52 -34.28 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.409 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.92 76.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.601 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' 1167 ' ' GLU . 19.8 m -64.93 -49.84 68.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.089 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.509 ' HB2' HG21 ' A' 1188 ' ' VAL . 14.8 m -58.25 -34.71 70.76 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.435 ' HA ' HG11 ' A' 1188 ' ' VAL . 61.9 tp -60.99 -51.73 68.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 0.0 110.704 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.92 -38.94 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.3 mt-10 -62.91 -44.41 96.16 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.057 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -59.53 -44.63 93.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.327 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.89 76.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.08 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.43 -44.45 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.58 -179.607 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.699 0.285 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' 1188 ' ' VAL . 19.4 mmt180 -61.67 -42.69 99.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.464 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.27 -46.41 76.15 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.516 0.51 . . . . 0.0 110.762 177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.29 80.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.286 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -59.98 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' 1164 ' ' SER . 8.8 p -70.96 -26.53 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.53 99.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.958 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' 1193 ' ' THR . 34.2 mmtp -71.57 -29.19 64.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.332 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1191 ' ' ALA . . . . . 0.486 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -63.55 -46.23 86.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.647 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.509 ' O ' HD13 ' A' 1196 ' ' LEU . 60.2 t -62.06 -44.21 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1193 ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' 1190 ' ' LYS . 53.7 m -47.54 -47.13 28.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.456 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -78.41 -26.08 46.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.065 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.0 55.03 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1196 ' ' LEU . . . . . 1.079 ' HB3' HG23 ' A' 1095 ' ' THR . 0.3 OUTLIER -52.34 -52.61 52.3 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.91 172.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -66.42 -34.79 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.9 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1198 ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' 1154 ' ' THR . 39.4 ttm180 -65.27 -32.15 73.66 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.128 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.2 t -74.35 -47.39 34.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.265 0.555 . . . . 0.0 109.886 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 27.5 m -67.32 -27.15 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.06 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.3 t -77.7 -23.93 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.391 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1202 ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' 1150 ' ' ILE . 14.8 p -85.81 -4.78 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.656 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.503 HD11 HD23 ' A' 1091 ' ' LEU . 96.2 mt -62.95 137.99 97.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.846 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.343 0.251 0 C-N-CA 122.82 2.347 . . . . 0.0 112.214 -179.356 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.405 ' OE2' ' HA3' ' A' 1118 ' ' GLY . 32.1 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 40.0 mtt -63.59 -37.03 85.78 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.094 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.93 -43.14 99.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 15.3 m -69.06 -43.29 74.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.947 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.11 77.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.819 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' 1166 ' ' ILE . 2.4 tm? -59.49 -45.9 90.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.045 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 63.8 m -58.62 -36.1 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.8 t -64.18 -44.71 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.379 . . . . 0.0 110.04 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.7 t -61.9 -39.6 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.267 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.511 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 77.0 mm-40 -58.59 -42.06 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -66.6 -34.4 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.073 0.463 . . . . 0.0 110.438 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' 1056 ' ' VAL . 98.4 mt -70.89 -46.66 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.706 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.8 pt-20 -63.81 -36.92 85.48 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.284 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1058 ' ' GLN . 29.5 mtpp -60.37 -36.25 77.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.17 0.294 . . . . 0.0 110.934 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -51.96 67.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 110.749 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.763 HD11 ' HB1' ' A' 1132 ' ' ALA . 7.5 mp -70.45 -21.84 62.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.604 -174.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' 1061 ' ' GLU . 29.7 mm-40 -67.77 -39.44 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -63.95 -53.04 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.491 175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.489 HG12 ' HD2' ' A' 1136 ' ' ARG . 1.8 mp -58.37 -37.23 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.267 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.348 . . . . 0.0 110.58 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.32 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.068 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.88 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -72.62 -27.89 62.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.8 -46.0 85.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.293 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.3 -18.82 44.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.65 37.47 5.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.859 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.36 -75.72 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' 1140 ' ' ALA . 39.4 mt . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 45.1 ttm -62.51 -32.4 73.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.822 0.344 . . . . 0.0 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1085 ' ' GLU . 1.8 mp0 -58.82 -47.47 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 176.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -46.31 83.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.304 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.7 m -61.6 -50.32 73.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.24 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1088 ' ' THR . . . . . 0.513 HG22 HD13 ' A' 1203 ' ' LEU . 25.5 p -64.05 -32.35 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.057 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.65 -51.41 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.779 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 46.8 t0 -64.09 -36.46 84.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.136 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.85 HD23 HD11 ' A' 1203 ' ' LEU . 19.3 tp -58.71 -53.05 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.189 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.93 -43.58 97.28 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.923 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -67.48 -37.36 82.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.584 0.23 . . . . 0.0 111.448 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 38.8 m -73.22 -29.74 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.722 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.1 m -58.21 -41.49 84.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.234 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.08 -29.66 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.915 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -76.06 -49.35 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.565 HG23 HG12 ' A' 1124 ' ' VAL . 4.0 p -74.7 -30.18 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.2 p -69.0 -37.21 78.57 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1100 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1104 ' ' LYS . 13.6 p -74.75 -27.9 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.363 0.601 . . . . 0.0 109.993 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.617 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -72.09 -43.24 65.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.546 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.4 pt -64.14 -29.65 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.734 0.302 . . . . 0.0 110.733 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 53.8 mtmt -76.04 -28.99 57.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.72 -37.06 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.235 0.54 . . . . 0.0 110.684 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.098 -177.805 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1116 ' ' TYR . . . . . 0.486 ' HA ' HD12 ' A' 1119 ' ' ILE . 48.0 m-85 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.752 0.31 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -58.24 -39.88 80.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.676 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' 1049 ' ' GLU . . . -68.81 -35.77 80.62 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.191 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1119 ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' 1116 ' ' TYR . 80.6 mt -55.55 -55.04 19.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.06 0.457 . . . . 0.0 110.659 177.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.73 77.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -71.83 -21.45 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.026 0.441 . . . . 0.0 110.736 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1122 ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' 1122 ' ' ARG . 21.7 ttp180 -79.13 -44.53 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.093 175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.69 -42.74 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.378 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' 1128 ' ' LEU . 16.8 m -62.64 -46.3 96.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.327 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.71 -49.84 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.6 0.238 . . . . 0.0 110.838 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.87 -41.94 99.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.408 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.76 96.49 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.314 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.5 mt -71.55 -25.93 62.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' 1125 ' ' ALA . 12.9 mtm180 -61.38 -56.29 21.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.422 0.629 . . . . 0.0 109.435 175.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.2 m -66.31 -33.63 76.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.469 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.531 HD22 HD12 ' A' 1091 ' ' LEU . 0.4 OUTLIER -54.23 -48.95 70.52 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 173.543 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.763 ' HB1' HD11 ' A' 1064 ' ' LEU . . . -62.52 -50.82 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.445 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' 1129 ' ' ARG . 50.3 mt-30 -57.98 -39.73 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.264 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -73.31 -44.05 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.365 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.298 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' 1067 ' ' ILE . 29.5 mtm180 -61.48 -35.35 77.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.003 0.43 . . . . 0.0 110.156 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -65.01 -51.33 52.06 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.163 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.489 ' HB ' HG21 ' A' 1151 ' ' VAL . 73.8 t -53.92 -45.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.026 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.8 92.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.491 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1140 ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -71.56 -26.92 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.545 -177.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' 1137 ' ' GLY . 94.9 mt -80.18 -36.9 34.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.823 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.512 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -78.05 146.73 35.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.2 t -105.5 6.25 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.935 0.398 . . . . 0.0 110.425 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' 1148 ' ' GLN . 18.1 t70 -88.53 113.32 54.99 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -74.74 67.74 5.63 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.789 2.326 . . . . 0.0 111.707 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.72 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.572 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.512 HG23 HG21 ' A' 1142 ' ' THR . 29.0 m -69.62 -23.08 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.645 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.2 mt-30 -56.96 -42.83 80.86 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 121.144 0.497 . . . . 0.0 110.274 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.96 68.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.751 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -38.73 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.737 -174.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.489 HG21 ' HB ' ' A' 1138 ' ' VAL . 3.5 p -72.55 -37.08 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.9 mt -74.8 -44.21 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.95 -46.68 81.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.64 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.536 ' O ' HG23 ' A' 1158 ' ' VAL . 10.9 p -64.52 -45.27 87.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.692 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.5 t -66.28 -35.02 79.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.07 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.32 -35.58 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.391 . . . . 0.0 109.999 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 1154 ' ' THR . 89.2 t -59.06 -58.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 176.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' 1061 ' ' GLU . 3.2 pp -65.32 -30.68 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' 1159 ' ' LEU . 32.2 t70 -57.9 -49.69 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 176.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.7 mptt -77.22 -27.55 53.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.056 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -63.73 -47.17 82.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.01 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' 1167 ' ' GLU . 5.0 p -67.12 -45.74 76.27 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.03 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 68.9 m -57.26 -34.03 68.2 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.79 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -61.09 -51.88 67.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' 1054 ' ' LEU . 35.4 mt -67.19 -40.4 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.72 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1163 ' ' SER . 49.4 mt-10 -67.41 -45.88 74.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.51 -42.3 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1169 ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -61.23 -37.97 84.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -65.33 -36.77 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.101 0.477 . . . . 0.0 110.404 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.913 -179.754 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 7.6 mm100 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.962 0.41 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -62.12 -43.41 98.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.117 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' 1169 ' ' ALA . 2.4 mm? -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.948 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.8 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.16 -49.35 70.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.408 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.79 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -69.33 -36.81 73.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.346 -175.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -66.19 -40.09 90.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 177.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' 1193 ' ' THR . 17.7 tptm -67.98 -33.84 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.03 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.95 91.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.74 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.462 HG21 HD12 ' A' 1165 ' ' LEU . 49.1 t -62.25 -41.48 91.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.945 0.402 . . . . 0.0 109.991 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1193 ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' 1190 ' ' LYS . 62.8 m -51.19 -52.97 39.23 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.145 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -73.43 -37.8 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.595 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.56 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.722 ' HB3' HG23 ' A' 1095 ' ' THR . 76.4 mt -59.48 -52.61 64.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.125 177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.9 t30 -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 tpt180 -68.39 -34.63 76.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.2 t -68.58 -48.45 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.344 0.592 . . . . 0.0 109.532 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.431 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 24.5 m -69.25 -21.92 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.978 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 11.8 t -77.49 -29.87 52.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 84.5 m -86.11 -1.53 57.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.397 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.85 HD11 HD23 ' A' 1091 ' ' LEU . 62.7 mt -65.2 122.6 80.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 111.418 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1204 ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 68.8 Cg_endo . . . . . 0 N--CA 1.45 -1.046 0 C-N-CA 122.86 2.373 . . . . 0.0 111.687 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 1.8 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.955 0.407 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 58.2 mtt -72.82 -31.98 65.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.538 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.69 -37.21 65.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.683 0.278 . . . . 0.0 110.94 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.7 m -71.4 -29.68 65.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 0.0 110.166 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.78 69.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.942 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' 1166 ' ' ILE . 59.4 tp -64.79 -42.63 94.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.126 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 10.4 p -61.56 -31.91 71.97 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.642 0.258 . . . . 0.0 110.752 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.542 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.1 t -62.4 -46.34 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1060 ' ' LEU . 44.1 t -65.5 -36.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1054 ' ' LEU . 34.4 mm-40 -61.94 -32.89 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.13 -27.56 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.632 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.634 HD21 ' HG2' ' A' 1129 ' ' ARG . 98.3 mt -67.75 -45.73 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.677 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.1 pt-20 -64.36 -41.97 96.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.633 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.54 -28.38 67.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -52.33 55.23 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.745 HD21 ' HB1' ' A' 1132 ' ' ALA . 25.0 mt -67.74 -28.75 67.9 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.826 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' 1061 ' ' GLU . 14.8 mm100 -62.18 -29.5 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.751 176.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.66 -37.94 65.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.063 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.635 HG22 HD13 ' A' 1152 ' ' LEU . 2.1 mp -67.48 -38.79 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.87 -50.68 72.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.07 86.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1070 ' ' ALA . . . . . 0.478 ' HB1' ' H ' ' A' 1076 ' ' LEU . . . -61.7 -44.92 96.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.388 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.465 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -67.69 -35.56 79.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.477 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -64.12 -40.45 96.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.111 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -76.03 -38.34 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 107.8 36.15 2.45 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -173.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -104.54 -68.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.435 . . . . 0.0 110.798 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.478 ' H ' ' HB1' ' A' 1070 ' ' ALA . 14.0 mt . . . . . 0 CA--C 1.534 0.35 0 C-N-CA 124.216 1.006 . . . . 0.0 113.58 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.8 tpp -58.44 -44.17 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -44.3 97.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -57.79 -54.44 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.569 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 71.6 m -65.3 -44.66 87.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.6 p -64.11 -36.13 83.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 110.966 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -68.15 -49.51 60.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.29 -33.23 74.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' 1203 ' ' LEU . 0.3 OUTLIER -57.3 -54.08 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.277 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.527 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -65.54 -27.48 72.62 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.504 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -78.22 -40.87 36.09 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.542 -0.387 . . . . 0.0 111.065 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.449 ' O ' HG12 ' A' 1098 ' ' VAL . 20.1 m -63.57 -34.43 77.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.0 m -55.51 -49.04 73.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.165 172.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' 1092 ' ' GLY . 55.6 mttp -62.03 -44.58 96.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.02 -61.66 2.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.531 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' 1094 ' ' SER . 7.7 p -67.78 -26.48 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.595 0.236 . . . . 0.0 111.043 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.7 t -67.42 -37.98 83.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.986 0.422 . . . . 0.0 110.161 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1100 ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' 1104 ' ' LYS . 23.1 t -69.9 -35.81 74.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.563 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -65.85 -49.29 68.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.665 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' 1106 ' ' LEU . 36.0 pt -62.96 -23.73 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.604 0.24 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.96 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.573 . . . . 0.0 109.955 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.525 ' HE3' ' CE1' ' A' 1116 ' ' TYR . 26.1 mmmt -76.39 -24.03 54.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.119 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' 1102 ' ' ILE . 2.7 tm? -78.94 -51.47 9.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.772 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' 1185 ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -176.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1116 ' ' TYR . . . . . 0.525 ' CE1' ' HE3' ' A' 1104 ' ' LYS . 41.6 m-85 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -51.26 -48.63 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.322 0.389 . . . . 0.0 111.345 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -79.59 -49.63 6.06 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.111 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.7 -54.95 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.415 ' HB3' HD23 ' A' 1105 ' ' LEU . . . -70.27 -37.11 74.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -173.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.45 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.321 0.581 . . . . 0.0 110.312 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -72.08 -35.74 69.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.213 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1123 ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.3 t70 -73.5 -41.3 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.251 -177.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1124 ' ' VAL . . . . . . . . . . . . . 24.4 m -58.23 -38.72 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -63.97 -43.17 96.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.4 96.0 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.319 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.16 -44.42 97.4 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.814 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' 1162 ' ' ALA . 2.4 mp -62.58 -37.63 86.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' 1125 ' ' ALA . 54.7 mtp180 -60.72 -55.46 32.88 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.264 0.554 . . . . 0.0 110.003 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 5.1 m -59.89 -37.66 80.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.628 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -56.19 25.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.821 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.745 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.28 -46.38 88.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.925 -177.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.67 -39.74 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.224 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1134 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1138 ' ' VAL . . . -68.57 -40.56 80.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.77 0.319 . . . . 0.0 110.742 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1135 ' ' ALA . . . . . 0.42 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -62.09 -48.31 80.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.676 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' 1067 ' ' ILE . 35.7 ptt180 -70.48 -23.51 62.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.462 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.1 -47.59 58.42 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 171.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1134 ' ' ALA . 56.8 t -51.47 -50.65 28.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.424 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -62.39 -33.4 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.975 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -76.19 -26.34 56.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 111.017 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 1137 ' ' GLY . 73.6 mt -86.98 -38.6 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.272 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.511 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.1 t -75.61 150.05 38.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.132 0.491 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 35.7 t -118.01 12.01 13.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.662 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.34 110.61 37.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.65 68.79 3.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.19 2.594 . . . . 0.0 112.754 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.07 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.154 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' 1151 ' ' VAL . 27.5 m -71.93 -25.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.219 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.557 ' O ' ' HG ' ' A' 1152 ' ' LEU . 85.4 mt-30 -57.89 -55.82 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.197 0.522 . . . . 0.0 110.802 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.24 67.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.3 OUTLIER -74.21 -39.6 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.89 -175.503 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' 1147 ' ' VAL . 5.3 p -65.94 -36.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.158 0.504 . . . . 0.0 110.686 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.635 HD13 HG22 ' A' 1067 ' ' ILE . 30.9 mt -73.42 -44.52 58.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.317 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.939 -178.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.452 ' O ' HG23 ' A' 1158 ' ' VAL . 21.3 p -63.41 -43.53 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.201 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.08 79.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.181 0.515 . . . . 0.0 110.92 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 33.6 m -71.49 -36.47 71.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.818 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD3' ' A' 1161 ' ' LYS . 26.5 t70 -63.75 -33.07 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.43 . . . . 0.0 110.012 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1154 ' ' THR . 98.7 t -58.04 -56.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.539 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -68.23 -30.94 70.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' 1159 ' ' LEU . 13.7 m-20 -58.32 -52.9 63.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.143 0.497 . . . . 0.0 110.567 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' 1157 ' ' ASP . 0.5 OUTLIER -65.54 -40.27 92.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.494 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' 1128 ' ' LEU . . . -64.24 -35.3 80.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.569 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' 1167 ' ' GLU . 65.0 m -63.57 -44.96 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.9 t -66.46 -32.03 73.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.106 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.554 HD11 HD21 ' A' 1106 ' ' LEU . 57.8 tp -59.32 -49.42 77.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.136 173.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' 1054 ' ' LEU . 91.7 mt -66.34 -41.41 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' 1163 ' ' SER . 46.2 mt-10 -60.72 -50.88 71.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -56.83 -46.32 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.612 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.34 90.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.408 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -60.55 -41.08 93.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.065 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 N--CA 1.444 -0.743 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.674 179.808 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1183 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1187 ' ' GLN . 68.5 mm-40 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -66.34 -40.42 89.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.437 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.596 ' HB3' HD12 ' A' 1106 ' ' LEU . 88.6 mt -54.59 -50.42 68.05 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.869 176.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.9 mt-30 -63.55 -53.19 55.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.918 0.389 . . . . 0.0 111.209 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' 1192 ' ' VAL . 7.6 p -69.27 -29.19 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.41 -172.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.425 ' HB2' ' HG ' ' A' 1106 ' ' LEU . . . -60.66 -43.91 97.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.155 0.503 . . . . 0.0 110.342 175.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 59.8 mttp -72.09 -30.42 65.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.46 96.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1188 ' ' VAL . 61.9 t -61.97 -43.05 97.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.138 0.495 . . . . 0.0 110.003 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 -38.49 87.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.994 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.75 -39.92 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.311 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.74 82.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.266 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.761 ' HB3' HG23 ' A' 1095 ' ' THR . 86.7 mt -58.34 -49.49 77.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.356 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.459 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.8 t30 -62.6 -37.81 87.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.962 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.07 -38.56 89.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.529 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.6 t -72.3 -47.3 51.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.623 HG12 HD12 ' A' 1091 ' ' LEU . 32.7 m -67.85 -21.91 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.458 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 26.3 t -76.85 -31.2 56.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.026 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1202 ' ' CYS . . . . . 0.414 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 82.8 m -86.2 -12.95 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' 1091 ' ' LEU . 77.5 mt -58.19 125.25 74.22 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.459 -0.513 0 C-N-CA 122.455 2.103 . . . . 0.0 112.146 177.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.9 mtt -58.34 -49.52 76.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.332 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -34.87 74.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.415 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.8 m -63.54 -41.11 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -65.47 -43.8 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.324 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.544 ' HB2' HG21 ' A' 1166 ' ' ILE . 46.1 tp -54.62 -34.67 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.77 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 28.5 t -60.42 -50.37 73.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.63 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.0 m -69.89 -30.87 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.673 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' 1060 ' ' LEU . 88.8 t -65.39 -40.94 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.0 110.307 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' 1061 ' ' GLU . 55.8 mt-30 -65.17 -36.26 83.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -65.62 -30.5 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.465 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.724 HD21 ' HG2' ' A' 1129 ' ' ARG . 93.8 mt -72.74 -50.71 22.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 0.0 OUTLIER -61.82 -38.99 90.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.94 -177.201 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.95 -34.01 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.484 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' 1067 ' ' ILE . 31.6 t70 -61.22 -47.68 84.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.373 0.606 . . . . 0.0 109.649 174.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.0 mt -68.11 -27.02 66.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.847 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1061 ' ' GLU . 15.5 mm100 -63.51 -41.46 98.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.444 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.05 -44.06 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 110.558 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' 1063 ' ' ASP . 39.5 mt -64.55 -32.76 59.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 110.336 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.73 -41.16 98.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.997 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.34 95.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.149 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.88 99.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.97 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.958 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.99 94.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.276 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.81 -46.32 18.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.16 40.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.628 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -117.86 15.17 14.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.33 -0.254 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.221 176.799 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.114 0.483 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 40.9 ttm -64.49 -43.47 94.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.782 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.18 -37.81 86.52 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.701 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.42 -53.71 55.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1087 ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' 1091 ' ' LEU . 69.3 m -60.65 -46.57 89.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.49 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 13.2 p -67.67 -42.18 82.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -71.84 -48.79 43.72 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.665 0.269 . . . . 0.0 111.243 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -24.55 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.437 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.845 HD23 HD11 ' A' 1203 ' ' LEU . 14.8 tp -59.6 -40.94 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.343 0.592 . . . . 0.0 109.428 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -66.94 -32.27 80.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.757 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -67.87 -40.28 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.1 m -65.96 -37.73 86.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.871 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' 1196 ' ' LEU . 96.9 m -56.44 -43.56 79.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.634 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' 1092 ' ' GLY . 28.0 mtpp -58.67 -40.97 85.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.926 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.08 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1098 ' ' VAL . . . . . . . . . . . . . 61.5 t -63.67 -45.39 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.719 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 23.0 t -60.79 -34.09 73.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.902 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 47.3 m -75.2 -42.73 55.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.48 90.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.428 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.545 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.1 pt -64.5 -23.19 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.997 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -75.17 -36.4 61.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -73.88 -27.26 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.627 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 1102 ' ' ILE . 95.2 mt -64.41 -25.69 68.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.954 0.407 . . . . 0.0 110.192 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1102 ' ' ILE . 84.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.3 m-30 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.643 0.259 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -59.65 -46.76 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.851 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.47 -37.51 20.39 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.584 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.33 -53.29 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.28 71.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.198 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.96 71.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1122 ' ' ARG . . . . . 0.489 ' C ' ' HD3' ' A' 1122 ' ' ARG . 1.7 tmt_? -69.37 -40.37 77.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.083 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.73 -41.0 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.605 ' O ' HD22 ' A' 1128 ' ' LEU . 12.6 m -67.79 -39.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.472 175.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -55.89 -48.08 76.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1126 ' ' GLY . . . . . 0.424 ' HA2' ' HE ' ' A' 1129 ' ' ARG . . . -71.86 -35.55 61.7 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.792 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.4 -51.17 60.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.558 -0.353 . . . . 0.0 112.979 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' 1124 ' ' VAL . 0.3 OUTLIER -65.0 -26.37 68.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.133 0.466 . . . . 0.0 111.619 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.724 ' HG2' HD21 ' A' 1060 ' ' LEU . 46.1 mtm180 -64.9 -53.13 51.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.279 0.561 . . . . 0.0 109.709 175.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.0 m -60.21 -40.9 91.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.691 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.598 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -58.0 -51.02 71.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.831 177.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.96 -55.17 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.122 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.573 ' HG3' ' N ' ' A' 1134 ' ' ALA . 13.3 pt20 -59.35 -45.12 92.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 111.751 -172.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1134 ' ' ALA . . . . . 0.573 ' N ' ' HG3' ' A' 1133 ' ' GLN . . . -66.45 -41.24 89.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.455 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.939 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1132 ' ' ALA . 11.8 mmm180 -70.98 -35.77 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.369 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.81 -39.0 96.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.974 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 73.8 t -55.45 -48.66 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.972 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.92 65.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.16 55.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.81 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1137 ' ' GLY . 92.7 mt -70.68 -41.0 72.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.787 -176.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.0 t -77.77 145.96 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.8 m -115.23 23.45 12.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' 1148 ' ' GLN . 13.0 m-20 -104.59 113.09 65.34 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.479 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.5 Cg_exo -72.07 67.37 3.32 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.3 2.667 . . . . 0.0 112.45 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.22 -57.21 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.037 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1151 ' ' VAL . 30.8 m -66.97 -28.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.326 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.671 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.97 -44.93 78.99 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 121.272 0.558 . . . . 0.0 110.453 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.48 -37.42 63.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.546 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -39.43 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.673 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -70.98 -35.22 58.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.038 0.447 . . . . 0.0 110.971 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.8 mt -78.24 -42.19 31.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 0.0 110.203 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.3 -45.01 84.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.839 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.545 ' O ' HG23 ' A' 1158 ' ' VAL . 19.3 p -69.56 -39.87 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.277 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.62 88.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.233 0.54 . . . . 0.0 110.44 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 15.0 m -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.22 -40.37 86.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1154 ' ' THR . 90.8 t -57.79 -56.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -65.36 -30.36 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' 1159 ' ' LEU . 33.7 t70 -57.06 -49.94 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.107 0.479 . . . . 0.0 110.37 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.2 mptt -77.25 -32.41 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.672 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -65.13 -37.58 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.356 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 32.1 m -64.23 -45.06 89.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.272 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 1168 ' ' GLU . 51.7 m -73.17 -18.6 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.496 HD21 HG22 ' A' 1102 ' ' ILE . 31.5 tp -68.25 -45.3 73.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 171.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' 1054 ' ' LEU . 59.8 mt -66.78 -48.91 78.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.292 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' 1170 ' ' LYS . 4.2 mm-40 -63.6 -28.72 70.12 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 176.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.2 tp10 -60.41 -51.13 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.75 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.053 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1170 ' ' LYS . . . . . 0.487 ' HG3' ' HA ' ' A' 1167 ' ' GLU . 6.1 mmmm -50.79 -47.37 59.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.454 . . . . 0.0 110.415 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 45.8 mttp . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.587 178.012 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -56.96 -52.03 66.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.792 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.37 -47.71 75.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.601 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.51 90.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.53 63.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.06 -175.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1188 ' ' VAL . . . . . . . . . . . . . 14.5 p -77.13 -32.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.05 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.166 0.508 . . . . 0.0 109.963 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.7 ttpp -66.36 -40.07 89.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.853 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.07 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 99.3 t -63.33 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.289 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 46.0 m -57.92 -47.0 84.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.08 -35.25 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.099 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.515 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' 1095 ' ' THR . 91.3 mt -58.1 -52.38 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.504 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.9 t30 -64.12 -37.45 87.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.477 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -59.55 -38.7 81.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.816 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1199 ' ' CYS . . . . . 0.527 ' O ' ' HG ' ' A' 1203 ' ' LEU . 24.4 t -74.21 -51.25 16.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 0.0 110.096 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.5 m -67.15 -21.64 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.001 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 13.6 t -77.51 -41.25 39.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.662 0.268 . . . . 0.0 111.159 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1202 ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' 1154 ' ' THR . 20.9 p -86.86 -1.42 57.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.845 HD11 HD23 ' A' 1091 ' ' LEU . 57.7 mt -56.81 121.6 46.18 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1204 ' ' PRO . . . . . 0.456 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 56.8 Cg_endo . . . . . 0 N--CA 1.45 -1.054 0 C-N-CA 122.36 2.04 . . . . 0.0 110.558 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.84 0.352 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.585 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 34.6 mtt -57.94 -37.81 74.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.256 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.31 -39.75 71.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.048 0.452 . . . . 0.0 110.144 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1052 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1056 ' ' VAL . 16.8 t -63.43 -47.23 82.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.797 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.028 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' 1058 ' ' GLN . 58.0 tp -59.45 -39.89 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 177.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -60.92 -35.8 77.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.722 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.551 ' O ' ' HG ' ' A' 1060 ' ' LEU . 58.3 t -65.07 -41.96 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.124 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 33.8 t -62.22 -35.28 68.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' 1054 ' ' LEU . 71.4 mt-30 -65.45 -37.95 88.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.569 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1059 ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' A' 1056 ' ' VAL . 0.6 OUTLIER -76.46 -26.83 55.81 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.205 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1056 ' ' VAL . 91.3 mt -67.66 -45.46 75.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.633 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' 1065 ' ' GLN . 7.9 pt-20 -63.92 -36.96 85.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' 1058 ' ' GLN . 98.6 mttt -58.87 -48.97 79.51 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' 1067 ' ' ILE . 5.8 m-20 -62.96 -40.03 96.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.982 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.2 mt -66.61 -33.23 75.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' 1061 ' ' GLU . 80.8 mm-40 -61.47 -42.64 99.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.98 -42.85 75.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.089 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' 1063 ' ' ASP . 79.4 mt -65.68 -32.39 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.502 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.08 -45.97 91.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.253 0.549 . . . . 0.0 110.161 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.09 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.492 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.41 86.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -64.88 -41.35 95.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 177.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.19 -39.38 89.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1073 ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' 1075 ' ' LYS . 25.0 t70 -73.43 -36.11 65.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 112.36 9.68 19.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.338 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1075 ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' 1073 ' ' ASP . 31.6 mmmt -92.36 10.6 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 111.166 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 47.1 tp . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.801 0.334 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.14 -33.99 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.58 -36.03 68.89 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.252 0.345 . . . . 0.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1086 ' ' LYS . . . . . 0.497 ' HE2' ' HB3' ' A' 1086 ' ' LYS . 29.1 mtpt -66.71 -50.45 62.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.599 177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 63.9 m -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.7 p -69.42 -34.55 74.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.045 0.45 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.76 -44.2 50.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.207 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.55 -36.26 82.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.409 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.469 HD23 HD11 ' A' 1203 ' ' LEU . 15.7 tp -61.26 -40.98 96.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.41 67.67 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.846 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.39 -44.43 95.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.636 0.255 . . . . 0.0 111.121 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' 1130 ' ' SER . 6.2 p -64.88 -43.13 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.488 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1196 ' ' LEU . 53.2 m -53.59 -51.8 61.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.581 174.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.45 -41.19 93.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.32 -58.77 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.268 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' 1094 ' ' SER . 8.1 p -68.01 -30.01 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.213 -176.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.0 t -62.5 -34.16 76.32 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.374 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.24 -31.38 60.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.217 0.532 . . . . 0.0 110.274 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.448 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -76.05 -43.84 41.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.667 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 26.7 pt -62.79 -25.27 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.681 0.277 . . . . 0.0 110.914 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.27 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 74.2 mmtt -76.76 -36.52 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.772 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.7 -37.11 86.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.282 0.563 . . . . 0.0 110.241 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.627 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 44.6 tp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.559 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1117 ' ' ALA . . . . . 0.585 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -62.0 -41.58 98.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.663 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.59 -44.08 65.38 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.109 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.61 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.675 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -66.38 -37.68 85.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.428 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.89 -40.04 94.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 110.735 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -67.72 -35.1 78.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.317 0.579 . . . . 0.0 109.996 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1123 ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 25.9 t70 -73.91 -39.35 63.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.354 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.675 ' O ' ' HG ' ' A' 1128 ' ' LEU . 29.6 m -62.33 -40.32 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.568 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.7 87.81 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.849 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.28 97.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.302 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.73 72.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.215 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' 1124 ' ' VAL . 88.4 mt -64.36 -41.07 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' 1133 ' ' GLN . 19.7 ptt85 -65.2 -40.06 93.65 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.988 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1130 ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' 1094 ' ' SER . 16.4 m -66.32 -39.61 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.437 HD22 HD12 ' A' 1091 ' ' LEU . 0.5 OUTLIER -57.23 -48.41 78.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.492 176.726 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.302 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' 1129 ' ' ARG . 25.6 mt-30 -60.55 -44.29 96.29 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.8 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.66 94.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.791 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1135 ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -63.01 -34.44 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.133 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.8 mmp_? -65.14 -44.38 88.79 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.128 0.489 . . . . 0.0 110.018 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.73 88.33 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.355 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.2 t -54.06 -46.24 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.26 94.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.443 . . . . 0.0 111.397 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.21 59.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.266 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 75.4 mt -85.42 -37.35 19.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.3 t -72.61 150.68 42.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 0.0 110.319 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1143 ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' 1145 ' ' PRO . 19.9 m -105.15 5.27 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.454 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.6 t70 -92.85 108.86 35.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.528 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1143 ' ' SER . 2.9 Cg_exo -76.25 66.17 7.09 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.673 2.248 . . . . 0.0 111.621 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.42 -46.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.261 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' 1151 ' ' VAL . 23.8 m -72.98 -23.08 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 173.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.688 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.9 mt-30 -57.76 -55.07 39.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.33 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.9 OUTLIER -72.54 -46.53 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.618 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' 1147 ' ' VAL . 2.7 p -63.93 -32.59 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.814 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.6 mt -73.97 -43.85 56.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.699 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.85 -43.1 84.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.652 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.513 ' O ' HG23 ' A' 1158 ' ' VAL . 5.7 p -59.93 -40.2 88.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.482 0.182 . . . . 0.0 111.311 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1155 ' ' ALA . . . . . 0.449 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -63.91 -31.24 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.443 . . . . 0.0 110.93 176.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.1 t -71.36 -35.15 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.7 -39.61 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.073 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 1154 ' ' THR . 97.7 t -53.26 -57.11 5.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 177.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.552 HD21 HD12 ' A' 1064 ' ' LEU . 4.4 pp -69.4 -30.25 68.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.068 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.517 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -57.98 -49.36 77.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.006 0.431 . . . . 0.0 110.624 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.3 mptt -70.39 -36.65 74.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.362 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.4 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 37.1 m -63.37 -51.61 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.845 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 14.3 m -61.91 -29.26 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.768 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -65.49 -49.76 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.8 mt -70.38 -38.78 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.007 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' 1170 ' ' LYS . 46.9 mt-10 -66.5 -39.35 88.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.063 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.0 -35.6 81.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 110.13 174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.06 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1170 ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' 1167 ' ' GLU . 21.9 mmtp -60.84 -35.67 77.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 110.075 172.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.647 176.495 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.897 0.379 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -64.5 -37.29 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' 1188 ' ' VAL . 14.2 tp -62.26 -33.8 75.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1186 ' ' ALA . . . . . 0.627 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -70.46 -43.08 70.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.566 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -67.25 -46.54 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.768 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.7 p -67.57 -33.04 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.599 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.475 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -61.1 -42.57 98.77 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.294 0.569 . . . . 0.0 110.047 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.01 -34.91 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.407 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.55 88.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.609 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1188 ' ' VAL . 67.7 t -63.59 -39.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.333 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 41.6 m -57.56 -42.38 82.9 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.546 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.39 -35.08 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.221 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.69 92.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.34 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.71 ' HB3' HG23 ' A' 1095 ' ' THR . 83.4 mt -57.51 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.633 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.548 ' HA ' HG22 ' A' 1200 ' ' VAL . 0.0 OUTLIER -64.07 -36.15 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.47 -178.592 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.69 -33.7 74.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.624 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.1 t -76.61 -49.54 16.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.5 . . . . 0.0 109.873 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' 1197 ' ' ASN . 24.2 m -68.46 -23.16 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.356 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 14.5 t -77.53 -24.19 50.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.78 0.324 . . . . 0.0 110.375 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 87.1 m -78.88 -6.09 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.469 HD11 HD23 ' A' 1091 ' ' LEU . 91.4 mt -62.73 130.57 93.84 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1204 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 51.7 Cg_exo . . . . . 0 C--O 1.236 0.417 0 C-N-CA 123.134 2.556 . . . . 0.0 112.696 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.776 0.322 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.566 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.7 mtt -63.37 -45.81 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.3 -38.63 81.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 36.0 m -69.58 -35.18 75.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.862 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.33 -35.03 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 1166 ' ' ILE . 36.2 tp -57.4 -42.5 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.662 178.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 42.1 m -58.62 -41.18 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.588 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.473 ' O ' ' HG ' ' A' 1060 ' ' LEU . 51.0 t -65.34 -47.75 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.712 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1053 ' ' ALA . 70.9 t -58.38 -47.13 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.428 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 111.45 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1059 ' ' ASN . . . . . 0.539 ' HA ' ' HD3' ' A' 1062 ' ' LYS . 16.4 m-80 -76.3 -28.52 57.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.689 0.28 . . . . 0.0 111.188 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' 1064 ' ' LEU . 95.9 mt -64.56 -47.01 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.606 ' HB3' HD11 ' A' 1159 ' ' LEU . 14.9 pt-20 -69.76 -29.3 66.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 110.856 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' 1059 ' ' ASN . 46.6 mtpt -57.75 -43.87 85.7 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.126 0.489 . . . . 0.0 110.319 173.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.477 ' O ' HG13 ' A' 1067 ' ' ILE . 29.5 t70 -64.69 -43.74 92.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.439 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.834 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.2 mt -64.47 -33.96 77.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.389 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' 1068 ' ' LYS . 54.8 mt-30 -64.58 -39.66 94.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.765 0.317 . . . . 0.0 110.754 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.64 -32.66 71.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.07 0.462 . . . . 0.0 110.25 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' 1063 ' ' ASP . 75.3 mt -70.32 -44.52 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.629 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' 1065 ' ' GLN . 19.1 pttp -70.3 -28.72 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.359 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.273 0.558 . . . . 0.0 110.196 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -71.21 -33.51 69.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.43 -35.02 75.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -53.2 56.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.534 174.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.07 -40.45 82.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.43 16.09 6.19 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.158 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -86.94 -71.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.637 0.256 . . . . 0.0 110.882 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.493 HD12 ' NE2' ' A' 1148 ' ' GLN . 8.7 mt . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.814 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1083 ' ' THR . . . . . 0.582 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 25.5 p . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.45 -43.1 98.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.793 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.582 ' OE1' ' HB ' ' A' 1083 ' ' THR . 1.5 pm0 -63.92 -27.13 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 111.127 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1086 ' ' LYS . . . . . 0.52 ' NZ ' ' HB3' ' A' 1086 ' ' LYS . 7.8 mtpm? -79.89 -41.98 25.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 0.0 110.293 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 8.6 t -67.15 -35.43 79.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.976 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.9 p -69.56 -30.08 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -71.3 -45.05 63.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.711 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.94 -34.42 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.091 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.847 HD23 HD11 ' A' 1203 ' ' LEU . 26.1 tp -60.84 -53.0 62.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 175.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -66.9 -31.15 77.33 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.555 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -65.55 -45.08 84.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.322 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.7 m -65.53 -33.49 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.221 0.534 . . . . 0.0 109.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.716 HG23 ' HB3' ' A' 1196 ' ' LEU . 51.6 m -57.77 -51.67 68.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.814 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -60.12 -36.38 77.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.21 40.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.608 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.6 p -73.04 -23.79 20.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.271 -177.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.6 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.73 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 25.1 m -72.21 -35.91 69.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.172 0.51 . . . . 0.0 110.14 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.55 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' 1098 ' ' VAL . 14.2 pt -61.74 -36.99 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.352 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.69 90.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.981 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.8 -22.57 56.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.758 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.461 HD21 HG12 ' A' 1166 ' ' ILE . 41.4 tp -57.28 -25.45 59.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.489 0.316 . . . . 0.0 111.327 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1185 ' ' LEU . 10.3 mp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.377 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.037 0.446 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1117 ' ' ALA . . . . . 0.566 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -62.81 -36.26 82.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.831 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -63.62 -48.39 77.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.013 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.29 -41.53 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.38 93.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.271 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.48 -26.88 67.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1122 ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' 1122 ' ' ARG . 52.5 mtp85 -77.83 -44.35 27.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.6 -38.02 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.904 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.744 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.4 m -60.41 -46.56 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.83 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.29 95.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.69 0.281 . . . . 0.0 110.525 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.84 -41.24 98.88 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.184 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1127 ' ' GLY . . . . . 0.493 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -67.45 -44.1 84.95 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.295 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.8 mt -66.48 -41.73 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -65.47 -35.6 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.967 0.413 . . . . 0.0 110.363 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 19.3 m -74.86 -37.4 62.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.909 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.407 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -58.29 -49.95 75.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.353 175.775 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.834 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.25 -51.32 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.64 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.86 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 70.7 mt-30 -66.53 -34.32 77.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.893 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.27 77.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 0.0 110.78 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1135 ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -65.97 -39.02 90.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.86 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 45.2 mtp180 -57.38 -46.65 83.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -56.94 -48.51 78.48 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.011 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.9 t -57.5 -46.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.48 87.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.878 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.73 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.587 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.7 mt -76.42 -35.43 58.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.366 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' 1148 ' ' GLN . 10.6 t -77.5 143.01 38.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 14.3 m -103.53 17.84 23.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.476 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' 1148 ' ' GLN . 49.9 m-20 -108.17 108.69 61.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.54 -177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.74 67.62 2.3 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.897 2.398 . . . . 0.0 112.361 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.42 -48.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.062 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1151 ' ' VAL . 27.3 m -78.85 -22.1 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.643 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.629 ' HG3' ' O ' ' A' 1144 ' ' ASP . 43.8 mt-30 -62.08 -47.07 86.29 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.63 -30.66 64.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.776 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -38.88 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.421 -176.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' 1135 ' ' ALA . 2.7 p -69.75 -34.67 61.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.078 0.466 . . . . 0.0 110.63 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.6 mt -76.22 -40.93 50.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 110.189 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.51 -48.5 81.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.893 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.422 ' O ' HG23 ' A' 1158 ' ' VAL . 13.8 p -64.0 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.815 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.61 89.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.504 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1156 ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 63.7 m -64.24 -35.26 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.762 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1157 ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' 1161 ' ' LYS . 15.7 t70 -66.46 -31.37 72.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.964 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1154 ' ' THR . 94.5 t -61.99 -56.68 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.234 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' 1061 ' ' GLU . 1.6 pt? -78.12 -29.51 48.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.461 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.507 ' OD2' ' HA ' ' A' 1157 ' ' ASP . 0.0 OUTLIER -67.0 -31.61 72.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.955 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.551 ' HD3' ' O ' ' A' 1157 ' ' ASP . 13.1 mptt -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 173.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 42.7 t -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.721 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' 1168 ' ' GLU . 21.8 m -70.12 -19.96 63.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.651 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' 1162 ' ' ALA . 48.0 tp -71.91 -45.85 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.461 HG12 HD21 ' A' 1105 ' ' LEU . 52.3 mt -65.3 -42.72 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1170 ' ' LYS . 44.7 mt-10 -67.37 -36.47 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.4 tp10 -60.56 -38.47 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.94 77.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.767 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1170 ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' 1167 ' ' GLU . 19.8 mmmt -56.98 -46.0 82.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.648 174.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.12 179.302 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1183 ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' 1187 ' ' GLN . 29.7 mm-40 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.361 0.124 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -64.01 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1106 ' ' LEU . 30.7 tp -61.96 -38.35 88.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1186 ' ' ALA . . . . . 0.727 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -72.46 -39.32 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.327 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' 1183 ' ' GLN . 98.3 mt-30 -61.79 -45.72 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.235 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.423 HG13 HD13 ' A' 1165 ' ' LEU . 14.8 p -69.55 -30.86 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' 1106 ' ' LEU . . . -65.51 -44.52 86.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.935 0.398 . . . . 0.0 110.215 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' 1194 ' ' GLN . 9.5 mtmp? -64.27 -30.49 71.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1188 ' ' VAL . 25.4 t -66.94 -44.01 88.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.853 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1193 ' ' THR . . . . . 0.505 ' HA ' HD12 ' A' 1196 ' ' LEU . 17.0 m -59.24 -40.58 86.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1194 ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' 1190 ' ' LYS . 70.2 mm-40 -67.85 -40.69 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.272 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.716 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -55.28 -52.09 64.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.859 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.503 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.3 t30 -65.99 -36.66 83.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -60.08 -35.15 74.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.699 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 31.0 t -74.71 -51.6 13.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 109.872 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.503 HG22 ' HA ' ' A' 1197 ' ' ASN . 25.6 m -66.32 -21.68 29.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.495 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 25.7 t -77.28 -37.61 52.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.564 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 82.0 m -82.4 -2.28 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.847 HD11 HD23 ' A' 1091 ' ' LEU . 79.2 mt -62.98 128.84 92.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.348 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo . . . . . 0 N--CA 1.461 -0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 111.063 176.143 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.404 ' CD ' ' HA3' ' A' 1118 ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.342 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.69 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.1 mtt -47.23 -38.42 12.2 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.331 170.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.76 -46.06 81.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.377 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 5.4 m -60.64 -46.23 91.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.62 -41.13 79.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.682 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' 1166 ' ' ILE . 66.4 tp -56.95 -42.62 80.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.68 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 35.4 t -58.12 -43.57 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.269 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.436 ' O ' ' HG ' ' A' 1060 ' ' LEU . 64.3 t -64.22 -48.29 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.855 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1053 ' ' ALA . 65.1 t -57.19 -44.95 84.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.151 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' 1062 ' ' LYS . 27.3 mt-30 -60.4 -34.66 74.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.28 -22.89 57.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.964 0.411 . . . . 0.0 110.606 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' 1064 ' ' LEU . 96.1 mt -76.5 -54.99 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.464 ' HB3' ' HB2' ' A' 1159 ' ' LEU . 0.5 OUTLIER -56.57 -41.01 76.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -178.25 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' 1065 ' ' GLN . 51.0 mttm -74.48 -24.35 59.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' 1067 ' ' ILE . 23.9 t0 -71.76 -40.25 69.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' 1060 ' ' LEU . 18.9 mt -69.13 -35.87 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.705 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' 1062 ' ' LYS . 10.9 pt20 -65.42 -33.85 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.534 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.36 -44.0 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' 1064 ' ' LEU . 33.3 mt -65.06 -37.97 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.004 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.665 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 32.8 ttmt -57.65 -47.19 82.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.162 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.3 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.9 94.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.992 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -72.02 -30.39 65.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.246 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.075 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1073 ' ' ASP . . . . . 0.446 ' OD1' ' HE2' ' A' 1075 ' ' LYS . 12.8 t70 -75.99 -63.51 1.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.358 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 142.1 34.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1075 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1073 ' ' ASP . 75.1 mmtt -104.6 1.04 29.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.706 0.289 . . . . 0.0 110.643 -176.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1071 ' ' ALA . 21.9 tp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1084 ' ' MET . . . . . 0.419 ' HE1' ' HB ' ' A' 1142 ' ' THR . 46.1 ttm -72.77 -29.42 63.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -55.02 -47.61 74.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.572 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -63.62 -43.68 96.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.604 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 67.3 m -64.39 -44.18 92.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.406 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 30.5 p -69.34 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.441 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -70.3 -47.02 63.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.171 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -38.91 89.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.413 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.868 HD23 HD11 ' A' 1203 ' ' LEU . 15.2 tp -60.59 -52.56 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.746 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -57.5 -40.97 93.14 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.75 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.31 -46.41 73.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.434 ' O ' HG12 ' A' 1098 ' ' VAL . 57.6 m -59.93 -34.94 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.916 HG23 ' HB3' ' A' 1196 ' ' LEU . 87.6 m -56.65 -52.07 66.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.708 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 63.2 mttm -64.51 -36.62 84.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.8 54.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.502 HG21 HD21 ' A' 1128 ' ' LEU . 7.5 p -73.46 -24.7 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.084 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 66.3 m -63.96 -36.63 84.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.164 0.506 . . . . 0.0 110.26 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 19.7 m -70.99 -25.59 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.953 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.29 23.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.697 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.6 pt -64.45 -25.54 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.243 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.54 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.947 0.403 . . . . 0.0 110.523 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 80.1 mttt -75.84 -34.73 60.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.137 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 72.4 mt -72.55 -26.81 61.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.54 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 38.0 tp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.717 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1117 ' ' ALA . . . . . 0.664 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -61.46 -39.46 90.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.525 . . . . 0.0 110.237 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.404 ' HA3' ' CD ' ' A' 1049 ' ' GLU . . . -79.91 -34.43 30.65 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.45 -49.41 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.509 . . . . 0.0 109.953 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.98 -32.56 73.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.396 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.6 -37.37 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.706 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.25 -26.12 42.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.267 0.556 . . . . 0.0 109.893 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -75.52 -44.66 42.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.952 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.716 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.3 m -61.59 -41.73 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.751 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.68 -43.12 72.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.3 -47.27 86.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.161 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.08 94.17 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.35 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' 1124 ' ' VAL . 73.0 mt -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' 1125 ' ' ALA . 36.9 mtm180 -61.75 -53.03 61.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -59.36 -39.55 83.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.703 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.431 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.57 -53.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.994 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.55 -53.41 58.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.248 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.767 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 79.3 mm-40 -64.66 -34.54 78.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.03 85.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1135 ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -67.36 -36.93 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.767 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 19.9 mtp180 -59.41 -44.53 92.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.461 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.63 -47.53 90.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.875 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 76.5 t -54.23 -46.22 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.734 0.302 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.38 -45.48 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.061 -177.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.2 61.26 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.348 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1137 ' ' GLY . 96.9 mt -75.36 -41.99 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.566 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.597 HG21 HG12 ' A' 1147 ' ' VAL . 9.7 t -70.21 147.33 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 110.724 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 6.3 p -98.47 -0.08 44.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.051 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.8 t70 -83.54 114.35 52.93 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -77.6 65.46 8.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.581 2.187 . . . . 0.0 111.693 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -174.01 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.962 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.597 HG12 HG21 ' A' 1142 ' ' THR . 2.2 t -59.44 -36.19 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.653 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.5 mt-30 -52.43 -46.76 66.51 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.77 62.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.631 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' 1135 ' ' ALA . 3.3 p -70.38 -33.46 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 1148 ' ' GLN . 43.0 mt -78.37 -41.05 34.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.235 0.54 . . . . 0.0 110.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1153 ' ' ASP . . . . . 0.665 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 30.3 t70 -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.881 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.544 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 17.5 p -68.54 -41.71 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.044 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.96 94.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.747 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -68.85 -30.3 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.936 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.25 -40.17 93.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' 1154 ' ' THR . 97.9 t -59.31 -46.75 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.388 174.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' 1061 ' ' GLU . 12.1 mt -71.07 -31.58 68.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.81 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -40.98 73.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.522 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.418 ' HB3' HG22 ' A' 1192 ' ' VAL . 5.5 mptp? -79.8 -39.35 31.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.641 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -61.14 -46.12 91.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.448 -178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 47.7 m -59.7 -44.78 93.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.014 0.435 . . . . 0.0 110.167 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 1168 ' ' GLU . 16.5 m -69.95 -25.25 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.231 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.11 -49.62 66.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.583 ' HB ' HD13 ' A' 1054 ' ' LEU . 63.9 mt -67.99 -42.27 85.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.583 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.69 -38.02 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.187 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' 1164 ' ' SER . 6.1 tp10 -57.39 -47.22 82.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1169 ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -67.41 -33.63 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.62 -41.69 91.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.416 177.389 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -63.49 -41.48 98.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' 1169 ' ' ALA . 4.0 mm? -60.95 -42.33 98.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1186 ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -60.13 -42.01 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.5 -51.27 61.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.381 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' 1192 ' ' VAL . 12.0 p -71.87 -33.69 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.626 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 92.99 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 110.609 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' 1194 ' ' GLN . 97.3 mttt -70.07 -34.48 73.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.15 82.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1188 ' ' VAL . 49.8 t -61.41 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.853 175.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 29.1 m -60.45 -38.98 85.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1194 ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' 1190 ' ' LYS . 30.1 mm-40 -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.497 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' 1198 ' ' ARG . . . -60.93 -41.72 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.916 ' HB3' HG23 ' A' 1095 ' ' THR . 76.7 mt -62.34 -47.91 82.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.688 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.08 -32.21 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 109.701 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1198 ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' 1195 ' ' ALA . 34.7 ttm180 -63.32 -32.93 74.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.398 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1199 ' ' CYS . . . . . 0.544 ' SG ' ' HB ' ' A' 1154 ' ' THR . 91.4 m -73.29 -51.94 15.72 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.541 -177.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' A' 1203 ' ' LEU . 24.4 m -69.53 -21.96 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.244 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.1 t -73.07 -42.78 62.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.0 p -80.4 -4.85 55.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.791 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.868 HD11 HD23 ' A' 1091 ' ' LEU . 97.2 mt -64.97 134.05 95.95 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.688 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.46 -0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.108 176.412 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.583 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 19.1 mm-40 . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.921 0.391 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 55.3 mtt -65.83 -34.83 79.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.89 -40.5 63.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.765 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 9.0 p -69.66 -40.05 76.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.483 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.506 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.491 ' HA ' HG12 ' A' 1057 ' ' VAL . 47.7 tp -61.0 -41.67 96.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.351 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 22.2 t -60.52 -43.19 97.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' 1060 ' ' LEU . 97.9 t -62.52 -52.08 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.088 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.5 p -64.73 -33.59 64.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -175.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 48.4 mt-30 -67.27 -33.73 75.94 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.903 0.383 . . . . 0.0 110.772 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -71.95 -29.77 64.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.865 0.364 . . . . 0.0 110.555 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.8 mt -72.21 -48.68 41.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.743 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.791 ' HB3' HD13 ' A' 1159 ' ' LEU . 9.3 pt-20 -61.88 -46.68 88.35 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.957 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.91 -41.36 78.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.756 0.313 . . . . 0.0 111.257 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.5 -47.96 76.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.288 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.734 HD12 HD21 ' A' 1159 ' ' LEU . 31.4 mt -67.57 -29.43 68.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.9 mt-30 -61.76 -38.03 86.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.05 -44.89 36.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.399 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.66 HD12 HD23 ' A' 1064 ' ' LEU . 96.5 mt -59.64 -38.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' 1152 ' ' LEU . 38.2 ttpt -65.93 -41.5 91.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.604 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.77 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.507 . . . . 0.0 109.968 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.83 78.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.675 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' 1076 ' ' LEU . . . -63.62 -41.73 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.997 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -65.07 -40.57 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.485 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.77 -26.73 37.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 111.554 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 99.05 31.78 6.11 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.263 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.98 13.9 31.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' 1071 ' ' ALA . 80.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 53.2 ttm -58.62 -30.54 67.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.015 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.19 -43.84 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -72.52 -40.99 66.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1087 ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' 1091 ' ' LEU . 78.9 m -60.56 -44.56 96.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1088 ' ' THR . . . . . 0.4 HG22 HD13 ' A' 1203 ' ' LEU . 37.1 p -72.11 -38.53 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.46 -50.62 66.79 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.17 -27.61 63.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.171 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1203 ' ' LEU . 22.9 tp -60.99 -52.52 64.66 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -60.09 -38.76 94.83 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.044 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -63.25 -46.96 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.546 0.212 . . . . 0.0 110.661 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.424 ' O ' HG12 ' A' 1098 ' ' VAL . 49.8 m -63.9 -35.9 82.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.561 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' 1196 ' ' LEU . 90.4 m -55.78 -55.48 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.551 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.22 79.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.08 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.391 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.4 p -73.11 -23.18 19.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.92 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.7 m -63.52 -35.74 81.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.016 0.436 . . . . 0.0 110.437 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 22.6 t -75.31 -35.39 61.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.226 0.536 . . . . 0.0 109.766 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.404 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -64.49 -46.69 81.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.52 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' 1106 ' ' LEU . 33.3 pt -64.95 -25.61 38.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.069 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.91 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 110.777 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -75.98 -33.16 59.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.322 0.582 . . . . 0.0 109.985 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1165 ' ' LEU . 21.2 tp -67.91 -24.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.55 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' 1102 ' ' ILE . 51.4 mt . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.513 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.35 -45.58 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.965 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -76.66 -40.82 25.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.57 -48.99 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.969 0.414 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.52 78.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.461 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.13 -35.34 79.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 111.091 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -73.89 -32.58 63.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.099 0.476 . . . . 0.0 110.191 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1123 ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 23.1 t70 -78.22 -36.26 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.323 -174.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.7 m -62.4 -42.81 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.245 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' 1129 ' ' ARG . . . -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.43 94.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.302 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.46 -37.61 79.04 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.933 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' 1124 ' ' VAL . 64.4 mt -73.94 -37.14 64.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' 1125 ' ' ALA . 10.0 ptm180 -67.08 -38.32 85.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.503 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.7 m -69.51 -36.57 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.177 0.513 . . . . 0.0 109.909 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -61.38 -52.76 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.561 176.65 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.87 -45.91 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.759 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.44 -43.16 97.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.673 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.91 75.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.05 71.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.722 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.405 ' HA ' HD21 ' A' 1152 ' ' LEU . 33.7 ptt180 -67.83 -23.74 65.2 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.71 0.29 . . . . 0.0 110.761 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.537 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.25 -49.01 49.01 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 69.3 t -53.56 -45.88 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.13 93.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.102 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.82 -26.37 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.466 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 1137 ' ' GLY . 89.8 mt -79.89 -37.36 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.429 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.495 HG21 HG23 ' A' 1147 ' ' VAL . 9.0 t -80.56 150.19 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.776 0.322 . . . . 0.0 110.414 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 p -111.85 4.31 18.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 11.2 t70 -80.2 118.93 74.79 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -72.96 67.19 4.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.843 2.362 . . . . 0.0 112.048 178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1146 ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -169.19 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.408 176.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' 1151 ' ' VAL . 18.8 m -66.02 -28.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.239 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.59 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.8 mt-30 -54.18 -52.11 62.23 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.335 0.588 . . . . 0.0 110.463 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.59 -34.15 60.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.564 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -38.43 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' 1147 ' ' VAL . 5.1 p -69.79 -36.12 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 0.0 110.494 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.8 mt -76.71 -42.69 40.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.94 -41.76 83.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.411 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.546 ' O ' HG23 ' A' 1158 ' ' VAL . 4.6 p -70.74 -44.94 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.243 -0.183 . . . . 0.0 111.019 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.08 96.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.195 0.521 . . . . 0.0 110.856 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 19.0 t -66.48 -37.19 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.902 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.1 -34.77 78.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 110.357 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 1154 ' ' THR . 93.5 t -57.85 -62.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.623 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.791 HD13 ' HB3' ' A' 1061 ' ' GLU . 2.9 pp -67.21 -29.38 69.02 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.49 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.553 ' N ' HD12 ' A' 1159 ' ' LEU . 24.1 t70 -54.97 -47.33 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 110.451 174.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -77.68 -35.22 52.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -67.72 -35.5 78.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 0.0 111.61 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 10.1 t -63.8 -40.54 96.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -71.59 -30.54 65.95 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.756 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.5 OUTLIER -61.61 -48.55 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.89 -48.69 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.968 175.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.682 ' HB3' ' HE2' ' A' 1171 ' ' LYS . 10.8 mm-40 -65.46 -52.3 54.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.803 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.42 -34.27 64.28 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.417 0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1169 ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -56.64 -53.33 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.174 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1170 ' ' LYS . . . . . 0.406 ' HB2' ' HZ2' ' A' 1170 ' ' LYS . 10.6 mtmp? -70.65 -24.69 62.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.192 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.682 ' HE2' ' HB3' ' A' 1167 ' ' GLU . 64.2 mttm . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.484 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1183 ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' 1187 ' ' GLN . 35.8 tt0 . . . . . 0 N--CA 1.43 -1.438 0 CA-C-O 120.786 0.327 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' 1184 ' ' ARG . 2.8 mmp_? -52.05 -47.79 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.984 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' 1169 ' ' ALA . 46.6 mt -70.38 -40.68 73.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.955 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1186 ' ' ALA . . . . . 0.485 ' HA ' HD22 ' A' 1106 ' ' LEU . . . -60.65 -35.11 75.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.628 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.9 mt-30 -73.46 -50.15 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.756 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.4 p -69.58 -32.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.549 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.586 ' CB ' HD21 ' A' 1106 ' ' LEU . . . -62.66 -40.77 98.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.26 -31.77 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.838 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.9 96.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.05 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.589 HG21 HD12 ' A' 1165 ' ' LEU . 52.5 t -64.0 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 26.0 m -57.81 -45.38 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -69.69 -38.7 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.726 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.918 ' HB3' HG23 ' A' 1095 ' ' THR . 59.6 mt -58.11 -49.55 76.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.374 0.607 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.919 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.54 -28.85 65.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 12.8 t -73.16 -47.02 47.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.4 m -71.31 -22.7 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.389 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 35.3 t -77.63 -35.94 52.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.038 0.447 . . . . 0.0 110.82 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 86.3 m -86.06 -0.94 56.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.636 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1091 ' ' LEU . 65.0 mt -56.98 120.37 37.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.425 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1204 ' ' PRO . . . . . 0.435 ' HB3' HG11 ' A' 1147 ' ' VAL . 60.5 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.768 2.312 . . . . 0.0 112.013 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.74 0.781 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.692 ' HB3' HG23 ' A' 1166 ' ' ILE . 62.3 mtt -78.11 -30.64 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.742 176.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.42 -41.38 93.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.393 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 19.5 m -58.81 -39.57 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.461 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -76.09 -37.29 58.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.141 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.476 ' HB2' HG21 ' A' 1166 ' ' ILE . 64.3 tp -58.5 -40.6 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.784 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 41.6 t -56.95 -44.73 82.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 48.5 t -61.73 -46.99 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.341 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.581 HG13 HD12 ' A' 1159 ' ' LEU . 86.2 t -55.7 -49.1 76.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.059 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.8 -34.65 65.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.743 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.25 -45.74 31.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.637 0.256 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' 1064 ' ' LEU . 93.8 mt -57.91 -47.3 83.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.505 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' 1065 ' ' GLN . 8.1 pt-20 -61.71 -44.37 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.852 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.497 ' HA ' ' OE1' ' A' 1065 ' ' GLN . 65.1 mttp -64.72 -36.31 83.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' 1067 ' ' ILE . 30.5 t70 -60.4 -48.81 80.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.333 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' 1060 ' ' LEU . 17.1 mt -66.93 -25.44 66.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.0 mt-30 -67.55 -35.82 79.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.046 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.07 -39.24 60.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.153 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1063 ' ' ASP . 59.0 mt -66.26 -33.26 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.313 178.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1068 ' ' LYS . . . . . 0.592 ' HA ' HD12 ' A' 1152 ' ' LEU . 39.9 ttpt -65.18 -36.05 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.145 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1069 ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' 1072 ' ' ARG . . . -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.031 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1070 ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -60.42 -29.45 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.241 176.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.89 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' 1069 ' ' ALA . 0.0 OUTLIER -67.08 -36.48 82.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -178.474 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -78.18 -17.52 56.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.167 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 77.13 38.33 30.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.542 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1075 ' ' LYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 98.8 mttt -95.62 -6.7 39.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 1076 ' ' LEU . 38.7 mt . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.533 . . . . 0.0 111.213 -176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 59.6 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.4 ttm -63.65 -26.82 68.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.147 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.51 -55.78 27.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.147 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -65.77 -38.88 90.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.829 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 70.9 m -60.57 -51.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.282 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 32.5 p -68.05 -39.12 83.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 111.057 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -64.4 -53.13 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.868 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.72 -28.51 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.763 HD23 HD11 ' A' 1203 ' ' LEU . 12.9 tp -61.38 -50.6 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -64.44 -40.08 97.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.158 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -64.42 -40.21 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.773 -0.251 . . . . 0.0 111.076 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.5 m -64.84 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.4 m -58.91 -49.39 77.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.45 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' 1092 ' ' GLY . 57.4 mttm -57.93 -42.39 84.75 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.54 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.572 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.489 ' HA ' ' HB3' ' A' 1101 ' ' ALA . 13.3 p -69.73 -22.83 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 29.8 t -58.65 -45.48 89.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.25 0.548 . . . . 0.0 110.19 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -74.46 -29.77 61.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.049 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -65.45 -50.76 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.465 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.54 -31.29 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.312 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.23 98.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 110.761 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -75.65 -24.3 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.17 -25.79 63.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.003 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' 1186 ' ' ALA . 8.7 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--O 1.224 -0.266 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.88 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.37 -45.39 8.09 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.633 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -52.53 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.522 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' 1123 ' ' ASP . . . -71.39 -27.83 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.102 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.41 -40.49 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 110.299 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -34.02 47.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1123 ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' 1120 ' ' ALA . 27.9 t0 -65.06 -41.51 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.275 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' 1098 ' ' VAL . 24.5 m -63.9 -40.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.232 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -63.66 -36.2 83.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.48 -45.07 96.95 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.976 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1127 ' ' GLY . . . . . 0.404 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -65.95 -44.11 92.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.633 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.487 ' HG ' ' CB ' ' A' 1159 ' ' LEU . 0.2 OUTLIER -61.14 -47.17 87.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.825 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' 1133 ' ' GLN . 3.9 ptm180 -65.15 -38.13 89.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.609 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.0 m -70.2 -35.62 74.04 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.082 0.468 . . . . 0.0 109.941 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.452 HD13 HD11 ' A' 1091 ' ' LEU . 0.6 OUTLIER -58.06 -49.18 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.35 176.009 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.63 -45.76 88.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.562 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' 1129 ' ' ARG . 90.9 mt-30 -56.49 -48.33 77.39 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.14 0.495 . . . . 0.0 110.951 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.313 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.27 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' 1067 ' ' ILE . 23.9 mtp180 -59.61 -43.44 93.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.35 -51.2 60.23 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.208 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.38 -48.15 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.32 -36.46 84.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.703 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.88 63.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.273 0.559 . . . . 0.0 111.457 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1137 ' ' GLY . 91.5 mt -81.15 -35.71 31.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.106 -174.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.489 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -79.41 152.72 30.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.155 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 42.3 p -112.0 3.92 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 0.0 110.513 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' 1148 ' ' GLN . 8.0 m-20 -76.64 115.88 51.73 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.76 66.86 8.07 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.632 2.221 . . . . 0.0 112.833 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.38 -54.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.503 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' 1151 ' ' VAL . 18.5 m -60.42 -28.63 42.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 176.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.63 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.5 mt-30 -55.38 -52.46 63.47 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-O 121.2 0.524 . . . . 0.0 110.338 176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.39 -31.71 62.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.774 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.752 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' 1147 ' ' VAL . 4.3 p -68.39 -36.1 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.159 0.504 . . . . 0.0 110.568 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1148 ' ' GLN . 36.1 mt -76.86 -41.12 45.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.49 -48.13 82.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.615 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.516 ' O ' HG23 ' A' 1158 ' ' VAL . 17.2 p -66.16 -43.84 85.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.947 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.22 93.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.2 t -64.41 -30.2 71.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.497 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.04 -32.61 61.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' 1154 ' ' THR . 76.1 t -55.0 -57.53 6.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.451 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.581 HD12 HG13 ' A' 1057 ' ' VAL . 1.7 pt? -75.76 -29.48 58.85 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.289 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.53 -39.88 77.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.15 0.5 . . . . 0.0 110.096 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.703 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.2 mptt -66.63 -47.43 72.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.205 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.59 69.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.681 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 15.1 t -62.64 -43.67 98.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 41.9 m -61.83 -34.33 75.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.636 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' 1188 ' ' VAL . 3.6 mt -58.92 -49.86 76.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.266 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' 1050 ' ' MET . 68.7 mt -64.47 -49.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.049 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' 1170 ' ' LYS . 45.9 mt-10 -62.92 -48.19 80.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.487 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -68.26 -31.48 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.847 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.42 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.554 0.216 . . . . 0.0 111.116 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1170 ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' 1167 ' ' GLU . 20.6 pttm -70.25 -25.04 63.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.059 0.457 . . . . 0.0 110.276 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.774 ' HE2' ' HA ' ' A' 1171 ' ' LYS . 9.5 mmpt? . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.106 0.479 . . . . 0.0 110.01 175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' 1188 ' ' VAL . 30.9 mtm-85 -67.78 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.78 -40.05 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.069 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1186 ' ' ALA . . . . . 0.448 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -64.5 -34.04 77.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.685 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' A' 1184 ' ' ARG . 52.8 mt-30 -65.78 -37.57 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1184 ' ' ARG . 8.9 t -70.78 -46.45 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.36 74.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.81 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.19 -39.24 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.617 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -67.92 -43.91 78.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' 1161 ' ' LYS . 76.2 t -58.03 -41.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.982 0.42 . . . . 0.0 110.209 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 17.8 m -59.89 -38.49 82.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.704 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.3 -36.07 61.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.413 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.622 ' HB3' HG23 ' A' 1095 ' ' THR . 74.6 mt -55.43 -52.26 64.17 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.91 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.48 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.8 t30 -61.92 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.016 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -60.93 -37.11 81.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.537 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 22.8 t -76.46 -49.53 16.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.0 m -66.98 -25.32 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.703 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.34 -34.74 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.168 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 27.5 p -81.45 -1.51 46.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.727 0.298 . . . . 0.0 111.388 -176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.763 HD11 HD23 ' A' 1091 ' ' LEU . 81.1 mt -63.83 132.41 95.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 N--CA 1.457 -0.674 0 C-N-CA 122.295 1.997 . . . . 0.0 111.592 173.624 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.0 mtt -55.9 -32.71 63.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.231 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1051 ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' 1054 ' ' LEU . 18.5 t70 -68.21 -34.96 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.802 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 8.2 t -69.72 -38.07 76.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.002 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -67.1 -35.17 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.254 0.55 . . . . 0.0 109.699 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.565 HD13 ' HB ' ' A' 1166 ' ' ILE . 56.7 tp -61.43 -36.71 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.8 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 68.1 m -55.34 -37.78 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.0 t -65.63 -45.32 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.005 176.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 43.1 t -63.08 -41.23 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.578 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 74.2 mt-30 -58.42 -39.22 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.227 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -68.65 -30.96 69.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 1056 ' ' VAL . 89.0 mt -75.25 -44.64 44.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.714 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.5 pt-20 -63.34 -38.38 90.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.743 0.306 . . . . 0.0 111.258 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.5 -25.95 62.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -71.39 -51.28 24.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.667 HD12 HD23 ' A' 1159 ' ' LEU . 15.7 mt -67.51 -27.85 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.332 -173.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -67.2 -35.97 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.762 0.315 . . . . 0.0 110.62 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.396 0.617 . . . . 0.0 110.208 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.614 HD13 ' HB3' ' A' 1136 ' ' ARG . 66.2 mt -66.14 -35.12 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.521 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -57.47 -45.51 84.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.477 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.16 82.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.92 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1071 ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -64.86 -40.2 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' 1072 ' ' ARG . 10.1 tpt180 -58.35 -54.04 51.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.594 176.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.73 -23.32 62.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.81 34.34 6.93 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.071 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -109.75 14.02 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' 1071 ' ' ALA . 58.3 mt . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.425 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.571 0.224 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1084 ' ' MET . . . . . 0.62 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 49.7 ttm -66.41 -29.33 69.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 110.57 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.28 -34.35 77.92 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.879 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.81 -50.03 18.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.227 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1087 ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' 1084 ' ' MET . 4.8 p -69.52 -44.8 70.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 31.8 p -61.24 -38.22 85.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.239 0.542 . . . . 0.0 110.86 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.34 -44.89 70.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1090 ' ' ASP . . . . . 0.513 ' OD2' ' HB3' ' A' 1130 ' ' SER . 35.6 t70 -66.24 -32.59 74.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.957 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.908 HD23 HD11 ' A' 1203 ' ' LEU . 18.2 tp -59.55 -46.23 89.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.024 0.44 . . . . 0.0 110.026 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -63.92 -38.39 96.01 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.103 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1093 ' ' ASN . . . . . 0.562 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 96.5 m-20 -66.64 -43.22 85.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.679 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.546 ' O ' HG12 ' A' 1098 ' ' VAL . 16.2 m -61.9 -38.9 90.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.8 m -54.22 -54.65 37.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.489 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1096 ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 59.0 pttt -70.55 -36.9 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.48 -54.71 40.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.861 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' 1094 ' ' SER . 7.6 p -73.99 -23.31 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.021 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.2 m -69.78 -32.61 71.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.6 m -75.19 -29.91 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.538 . . . . 0.0 109.803 172.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.558 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -69.91 -46.2 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.242 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.26 -26.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.19 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.558 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 52.6 mtmt -69.68 -29.75 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.68 -33.29 74.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.189 178.635 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1117 ' ' ALA . . . . . 0.413 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -66.23 -36.1 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.06 53.82 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.427 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.39 -45.83 96.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.582 0.229 . . . . 0.0 110.647 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.45 89.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.312 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -69.67 -29.07 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.389 0.614 . . . . 0.0 110.613 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -76.42 -26.16 55.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.783 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.27 -42.2 38.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.735 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.824 ' O ' ' HG ' ' A' 1128 ' ' LEU . 23.2 m -58.71 -45.16 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.655 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.76 -38.28 78.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.629 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.58 -47.18 92.06 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.076 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.7 -35.32 91.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.901 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.824 ' HG ' ' O ' ' A' 1124 ' ' VAL . 51.3 mt -71.7 -28.93 64.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.891 0.076 . . . . 0.0 111.119 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' 1125 ' ' ALA . 56.7 mtt-85 -59.02 -57.7 11.94 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.469 0.652 . . . . 0.0 109.834 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1130 ' ' SER . . . . . 0.513 ' HB3' ' OD2' ' A' 1090 ' ' ASP . 13.6 m -63.87 -38.39 90.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.588 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -54.72 -53.05 60.08 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.751 177.35 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.25 -52.0 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.395 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -58.85 -36.83 75.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.719 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1134 ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' 1138 ' ' VAL . . . -69.54 -44.66 70.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.908 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.84 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.405 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.614 ' HB3' HD13 ' A' 1067 ' ' ILE . 14.3 ptm180 -64.99 -34.51 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.245 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -63.31 -50.06 65.64 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.584 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 1134 ' ' ALA . 75.5 t -55.61 -47.64 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.083 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.3 93.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.422 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.61 -39.75 57.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 111.071 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.42 HD13 ' CA ' ' A' 1084 ' ' MET . 28.0 mt -61.59 -38.79 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.046 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' 1148 ' ' GLN . 8.5 t -78.04 135.5 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.626 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 m -98.84 21.49 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' 1148 ' ' GLN . 27.5 m-20 -108.67 110.31 61.3 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.427 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.66 71.65 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.496 2.797 . . . . 0.0 112.496 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.15 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.494 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.611 HG23 HG21 ' A' 1142 ' ' THR . 26.8 m -69.05 -24.03 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.17 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.653 ' HG2' HG23 ' A' 1142 ' ' THR . 58.6 mt-30 -57.9 -50.36 73.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.377 0.608 . . . . 0.0 110.205 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.29 64.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -39.28 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.601 -175.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' 1147 ' ' VAL . 3.2 p -68.57 -34.57 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.027 0.441 . . . . 0.0 110.633 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.8 mt -77.76 -42.6 33.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 110.646 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.55 -37.94 85.62 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.335 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1154 ' ' THR . . . . . . . . . . . . . 11.3 p -71.8 -39.31 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.933 0.397 . . . . 0.0 110.999 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.67 68.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.128 0.49 . . . . 0.0 110.597 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1156 ' ' SER . . . . . 0.427 ' HA ' HD21 ' A' 1159 ' ' LEU . 8.8 t -60.54 -34.19 73.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.582 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -68.91 -39.86 79.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.214 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 64.9 t -57.03 -55.0 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.684 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' 1061 ' ' GLU . 4.3 pp -64.15 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.981 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.455 ' N ' HD12 ' A' 1159 ' ' LEU . 14.5 t70 -61.55 -52.95 62.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -74.05 -29.94 62.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.74 73.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.64 0.257 . . . . 0.0 111.628 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 24.3 m -59.96 -47.47 85.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1164 ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' 1168 ' ' GLU . 24.4 p -68.99 -22.63 64.08 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.652 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -66.28 -49.37 67.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1166 ' ' ILE . . . . . 0.565 ' HB ' HD13 ' A' 1054 ' ' LEU . 55.7 mt -64.41 -46.82 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.531 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' 1170 ' ' LYS . 2.5 mm-40 -60.96 -38.3 85.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1164 ' ' SER . 7.1 tp10 -58.38 -50.03 75.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.042 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.99 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1170 ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' 1167 ' ' GLU . 54.2 mtpt -55.74 -51.0 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.218 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.464 -178.794 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 120.815 0.34 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' 1184 ' ' ARG . 4.1 mmp_? -55.34 -54.11 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.043 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.13 -37.93 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.42 67.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.332 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.68 -38.6 73.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.687 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.652 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.6 p -67.23 -34.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1189 ' ' ALA . . . . . 0.433 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -68.12 -46.23 71.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.255 0.55 . . . . 0.0 110.323 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1194 ' ' GLN . 54.2 tptt -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.222 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.745 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.638 HG21 HD12 ' A' 1165 ' ' LEU . 78.3 t -59.81 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1193 ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' 1196 ' ' LEU . 31.9 m -66.04 -30.06 70.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1194 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1190 ' ' LYS . 24.5 mm-40 -64.49 -42.12 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.092 0.473 . . . . 0.0 109.941 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.24 75.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.611 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.896 ' HB3' HG23 ' A' 1095 ' ' THR . 67.8 mt -55.57 -50.98 68.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.288 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1197 ' ' ASN . . . . . 0.457 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.4 t30 -63.28 -32.55 74.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -66.73 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.788 0.327 . . . . 0.0 110.491 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.5 t -73.35 -47.81 39.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.799 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' 1197 ' ' ASN . 32.7 m -68.08 -21.91 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.381 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 34.9 t -77.14 -34.22 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.856 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 26.6 p -86.21 -1.07 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.908 HD11 HD23 ' A' 1091 ' ' LEU . 70.3 mt -66.49 144.57 98.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 N--CA 1.462 -0.37 0 C-N-CA 122.152 1.901 . . . . 0.0 110.588 171.678 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1049 ' ' GLU . . . . . 0.473 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 2.4 mp0 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.018 0.437 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.464 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 63.2 mtt -77.55 -34.98 53.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.325 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 21.7 m -68.89 -29.03 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.3 70.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.096 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' 1058 ' ' GLN . 61.3 tp -56.91 -43.98 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.517 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.7 m -53.48 -39.63 64.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' A' 1060 ' ' LEU . 47.0 t -64.72 -45.28 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 47.7 t -63.24 -39.29 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.564 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' 1062 ' ' LYS . 97.3 mt-30 -63.31 -34.09 76.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -72.88 -31.85 64.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' 1129 ' ' ARG . 97.3 mt -61.97 -52.0 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' 1159 ' ' LEU . 4.9 pt-20 -61.05 -41.56 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.716 0.293 . . . . 0.0 111.536 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1058 ' ' GLN . 53.9 mttm -71.28 -33.27 69.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.54 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -40.23 84.08 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 109.946 172.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.9 mt -63.75 -30.17 71.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.989 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' 1061 ' ' GLU . 78.3 mt-30 -59.98 -43.69 94.95 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.321 0.388 . . . . 0.0 111.07 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.625 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.594 ' HB ' ' HE ' ' A' 1136 ' ' ARG . 11.2 mt -75.71 -32.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.379 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -62.68 -46.08 89.83 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.04 73.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.623 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.38 75.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.727 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.8 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 110.694 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1072 ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' 1072 ' ' ARG . 3.6 tmt_? -72.41 -44.37 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.02 -33.46 68.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.022 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 98.98 45.89 2.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.6 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -127.62 25.36 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.758 -0.221 . . . . 0.0 111.249 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.996 0.427 . . . . 0.0 110.606 175.22 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.1 tpp -54.83 -32.65 60.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.202 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.92 -47.85 67.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.902 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -76.86 -45.42 28.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 73.2 m -55.51 -46.42 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.533 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 36.6 p -70.7 -35.35 72.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.281 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.42 -32.86 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.037 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.498 HD12 HD22 ' A' 1131 ' ' LEU . 23.1 tp -60.42 -49.44 77.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.78 175.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.67 95.94 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.34 177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -57.66 -47.54 82.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.486 ' O ' HG12 ' A' 1098 ' ' VAL . 19.3 m -64.15 -37.09 86.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1095 ' ' THR . . . . . 0.899 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.5 m -56.94 -53.18 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.083 0.468 . . . . 0.0 110.247 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -62.07 -35.62 79.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.51 -61.95 2.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.632 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.505 HG21 HD21 ' A' 1128 ' ' LEU . 5.9 p -72.01 -26.81 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.615 -175.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.4 t -63.09 -37.22 86.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.199 0.523 . . . . 0.0 110.087 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1100 ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' 1104 ' ' LYS . 44.8 m -74.64 -25.39 59.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.449 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.481 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -76.11 -44.18 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.439 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.7 pt -64.57 -25.21 37.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.421 . . . . 0.0 110.793 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.18 -32.15 71.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.649 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 57.9 mttm -73.59 -35.56 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.76 -46.86 87.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.564 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 177.377 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.45 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.057 0.456 . . . . 0.0 110.726 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1118 ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -80.27 -36.34 24.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.364 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.6 -47.69 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.977 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -72.45 -29.27 63.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.421 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1121 ' ' ALA . . . . . 0.464 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.02 -37.99 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -79.35 -24.93 42.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 109.992 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1123 ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 6.3 t70 -72.73 -43.94 62.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.727 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -60.83 -43.35 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.92 -46.08 88.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.17 -40.44 99.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.422 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.98 94.96 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' 1124 ' ' VAL . 66.6 mt -69.43 -29.05 66.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.451 0.167 . . . . 0.0 111.323 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.734 ' HG2' HD21 ' A' 1060 ' ' LEU . 50.3 mtp180 -62.09 -53.55 53.83 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.208 0.528 . . . . 0.0 109.934 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1130 ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' 1133 ' ' GLN . 22.2 m -65.89 -33.91 76.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.842 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.498 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -58.78 -49.36 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -65.67 -40.65 92.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1133 ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' 1130 ' ' SER . 4.2 pt20 -64.23 -36.92 85.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.64 -42.7 67.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.643 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.82 76.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.62 ' HD3' HD22 ' A' 1152 ' ' LEU . 16.6 mmt-85 -68.79 -36.8 78.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.013 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1137 ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.99 -45.06 94.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.646 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' 1142 ' ' THR . 83.6 t -53.96 -49.91 56.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.296 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1139 ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' 1152 ' ' LEU . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.861 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.04 77.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.1 0.476 . . . . 0.0 110.77 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1141 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1137 ' ' GLY . 90.3 mt -75.2 -42.37 55.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.975 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.445 HG22 ' O ' ' A' 1138 ' ' VAL . 3.8 t -65.56 -46.72 78.41 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.331 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 50.7 m 64.61 10.3 5.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.689 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.2 t70 -85.73 117.84 69.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 O-C-N 122.371 -0.206 . . . . 0.0 110.6 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 12.2 Cg_exo -70.46 66.96 2.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.803 2.335 . . . . 0.0 112.267 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.21 -60.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.98 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 34.9 m -70.73 -24.76 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.791 ' O ' ' HG ' ' A' 1152 ' ' LEU . 54.2 mt-30 -57.37 -51.81 67.9 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.802 0.334 . . . . 0.0 110.314 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.59 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.694 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' 1150 ' ' ILE . 0.8 OUTLIER -72.43 -46.86 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.778 -175.617 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -68.02 -29.77 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.383 0.611 . . . . 0.0 111.029 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' 1148 ' ' GLN . 23.9 mt -77.56 -40.71 41.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.102 0.477 . . . . 0.0 109.782 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.48 -43.35 97.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.379 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.587 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 10.4 p -63.6 -45.82 88.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.979 0.175 . . . . 0.0 111.181 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -56.18 -43.11 78.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 111.018 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -37.57 74.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.046 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.4 -37.02 81.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' 1154 ' ' THR . 96.9 t -58.9 -53.64 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.008 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.559 ' CD1' ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -69.43 -30.53 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.059 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' 1159 ' ' LEU . 0.5 OUTLIER -57.63 -44.65 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.517 175.2 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1161 ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.4 mptt -68.66 -43.45 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.42 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.722 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 27.7 t -62.14 -44.02 97.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -62.84 -39.24 93.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.264 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.54 -47.34 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.17 -44.97 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.462 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.35 -40.6 89.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.386 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1168 ' ' GLU . . . . . 0.451 ' OE2' ' HD3' ' A' 1184 ' ' ARG . 28.4 tp10 -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.087 176.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.69 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.815 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.56 -30.25 70.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 77.9 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.575 176.827 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1183 ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' 1187 ' ' GLN . 54.2 mt-30 . . . . . 0 C--O 1.225 -0.192 0 CA-C-O 120.505 0.193 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1184 ' ' ARG . . . . . 0.451 ' HD3' ' OE2' ' A' 1168 ' ' GLU . 89.0 mtt180 -52.21 -52.79 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.82 -38.26 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.964 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.02 94.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.446 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.6 mt-30 -72.54 -40.46 66.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' 1192 ' ' VAL . 10.3 p -70.8 -34.93 58.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.718 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 109.999 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' 1194 ' ' GLN . 63.0 tttm -62.33 -38.32 89.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.77 175.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.32 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.772 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' 1161 ' ' LYS . 59.9 t -56.19 -44.16 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.2 0.524 . . . . 0.0 109.932 175.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 21.8 m -60.82 -40.74 93.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.858 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1194 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 1190 ' ' LYS . 28.8 mm-40 -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.93 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1196 ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' 1095 ' ' THR . 84.4 mt -58.48 -46.14 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.963 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.61 -37.58 86.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.655 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -65.99 -28.4 68.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.355 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1199 ' ' CYS . . . . . 0.587 ' SG ' ' HB ' ' A' 1154 ' ' THR . 90.9 m -69.0 -48.9 61.93 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.363 0.601 . . . . 0.0 109.909 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.5 m -73.94 -21.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 27.8 t -77.93 -40.01 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.064 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -76.06 -1.48 26.14 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1203 ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.05 131.95 74.24 Favored Pre-proline 0 C--O 1.233 0.199 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.898 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 C--N 1.349 0.572 0 C-N-CA 124.374 3.383 . . . . 0.0 114.185 -178.81 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.974 0.416 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1050 ' ' MET . . . . . 0.55 ' CE ' ' HB1' ' A' 1117 ' ' ALA . 62.8 mtt -60.13 -33.49 72.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.516 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.24 -46.45 61.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 13.7 t -65.5 -43.21 90.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.073 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1053 ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' 1057 ' ' VAL . . . -59.66 -49.29 78.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.014 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1054 ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' 1058 ' ' GLN . 49.6 tp -59.19 -36.0 74.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 31.8 t -63.42 -44.82 93.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.521 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.3 m -71.27 -30.68 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.235 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1057 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1053 ' ' ALA . 47.5 t -66.98 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.151 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1058 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1054 ' ' LEU . 97.9 mt-30 -64.6 -32.7 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.231 0.538 . . . . 0.0 110.859 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -76.32 -25.44 54.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1060 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1056 ' ' VAL . 93.7 mt -75.34 -46.82 30.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1061 ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -57.93 -44.41 86.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.036 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1062 ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' 1066 ' ' GLU . 96.9 mttt -61.07 -38.69 87.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.303 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1063 ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' 1067 ' ' ILE . 18.8 t70 -63.89 -46.59 84.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.176 0.512 . . . . 0.0 110.049 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1064 ' ' LEU . . . . . 0.688 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.6 mt -69.04 -31.99 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.448 -175.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1065 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1061 ' ' GLU . 10.3 mm100 -68.01 -30.3 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.619 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1066 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1062 ' ' LYS . 48.5 mt-10 -68.52 -43.53 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1067 ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' 1064 ' ' LEU . 52.5 mt -63.17 -39.1 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.224 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.14 -43.79 92.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.417 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.34 87.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.724 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.41 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.124 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.54 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 111.075 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.76 -46.9 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.86 -47.31 75.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.038 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 111.29 31.46 2.82 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.598 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -118.44 25.47 10.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 111.101 177.13 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.941 0.4 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1084 ' ' MET . . . . . 0.668 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 48.2 tpp -68.2 -28.35 67.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.541 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.04 -55.05 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.037 175.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.13 -51.71 65.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.247 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1087 ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' 1084 ' ' MET . 6.8 p -63.28 -44.09 96.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1088 ' ' THR . . . . . 0.424 HG22 HD22 ' A' 1203 ' ' LEU . 40.6 p -65.44 -38.29 89.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.812 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.38 -49.01 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.322 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.28 -31.82 73.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.234 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1091 ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' 1203 ' ' LEU . 19.8 tp -61.73 -48.9 78.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.913 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1092 ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.89 -41.02 98.89 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.043 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.67 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.54 0.21 . . . . 0.0 110.898 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1094 ' ' SER . . . . . 0.523 ' O ' HG12 ' A' 1098 ' ' VAL . 32.1 m -67.9 -36.19 79.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 0.0 110.098 175.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1095 ' ' THR . . . . . 1.02 HG23 ' HB3' ' A' 1196 ' ' LEU . 63.3 m -57.26 -57.52 12.27 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -64.6 -34.82 79.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -57.3 -61.29 2.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1098 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 1094 ' ' SER . 7.3 p -70.86 -28.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.138 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 33.8 t -64.36 -37.98 89.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.243 0.544 . . . . 0.0 110.107 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.8 t -72.14 -35.16 69.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.134 0.493 . . . . 0.0 109.956 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1101 ' ' ALA . . . . . 0.417 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -69.21 -40.36 78.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 28.0 pt -64.74 -26.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.889 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.88 -29.41 69.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.723 0.297 . . . . 0.0 110.617 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1104 ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' 1116 ' ' TYR . 14.3 mptt -75.68 -40.32 56.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.618 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1105 ' ' LEU . . . . . 0.477 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 40.6 mt -61.07 -34.97 75.75 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1106 ' ' LEU . . . . . 0.68 ' HG ' ' HB3' ' A' 1185 ' ' LEU . 11.0 mp . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.519 171.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1116 ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' 1104 ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1117 ' ' ALA . . . . . 0.55 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -61.73 -38.45 87.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.888 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.65 -50.58 58.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.252 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.31 -45.87 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.538 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1120 ' ' ALA . . . . . 0.477 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -65.09 -38.08 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.81 85.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.058 0.456 . . . . 0.0 110.917 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1122 ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' 1122 ' ' ARG . 43.5 ttp180 -75.12 -33.15 61.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 110.212 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1123 ' ' ASP . . . . . 0.417 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.1 t70 -69.63 -45.5 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.784 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.6 ' O ' HD22 ' A' 1128 ' ' LEU . 23.2 m -60.79 -39.37 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.946 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1125 ' ' ALA . . . . . 0.595 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -57.65 -46.63 83.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.86 -37.37 93.6 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.855 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.79 -43.87 98.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.159 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1128 ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' 1124 ' ' VAL . 0.1 OUTLIER -63.21 -38.77 92.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.514 0.197 . . . . 0.0 111.113 179.125 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1129 ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' 1125 ' ' ALA . 29.3 mtm180 -59.82 -54.14 49.76 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.168 0.508 . . . . 0.0 109.916 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.7 m -59.57 -42.45 92.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1131 ' ' LEU . . . . . 0.411 HD22 HD12 ' A' 1091 ' ' LEU . 1.1 tm? -58.16 -49.93 75.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.776 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1132 ' ' ALA . . . . . 0.688 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.358 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.51 -41.11 96.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.171 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.1 74.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.868 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.86 80.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.736 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1136 ' ' ARG . . . . . 0.497 ' HE ' HD11 ' A' 1067 ' ' ILE . 7.8 ptm180 -66.07 -24.5 66.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.398 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -73.6 -49.22 15.13 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.377 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1138 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 1087 ' ' CYS . 53.5 t -53.6 -48.65 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 122.402 0.281 . . . . 0.0 111.306 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.4 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.675 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.46 -46.0 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 110.826 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.34 -38.39 84.77 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.783 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1142 ' ' THR . . . . . 0.462 HG21 HG23 ' A' 1147 ' ' VAL . 12.6 t -75.12 150.93 38.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 26.7 m -114.1 4.25 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.723 0.297 . . . . 0.0 110.978 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1144 ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' 1148 ' ' GLN . 14.1 t70 -80.33 115.61 55.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -76.12 66.59 6.95 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.1 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.53 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.497 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 26.9 m -67.05 -25.83 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.108 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1148 ' ' GLN . . . . . 0.586 ' O ' ' HG ' ' A' 1152 ' ' LEU . 91.7 mt-30 -52.83 -53.96 41.16 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.242 0.544 . . . . 0.0 110.839 177.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.84 68.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1150 ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -72.75 -36.27 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.78 -174.195 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.29 -35.61 68.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.175 0.512 . . . . 0.0 110.445 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.9 mt -75.27 -42.28 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.371 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.41 -46.48 80.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1154 ' ' THR . . . . . 0.518 ' O ' HG23 ' A' 1158 ' ' VAL . 11.6 p -68.62 -41.01 80.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.2 0.524 . . . . 0.0 110.834 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -66.45 -32.98 74.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.836 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.08 -36.85 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1158 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 1154 ' ' THR . 75.5 t -57.0 -56.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.817 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -67.43 -30.36 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.874 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1160 ' ' ASP . . . . . 0.516 ' N ' HD12 ' A' 1159 ' ' LEU . 31.9 t70 -56.49 -48.4 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.2 mptt -76.18 -33.82 59.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1162 ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.34 -39.32 86.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 111.141 178.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.507 ' O ' ' HG3' ' A' 1167 ' ' GLU . 41.9 m -59.81 -52.1 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.025 176.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 27.0 m -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1165 ' ' LEU . . . . . 0.57 HD22 HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -66.04 -53.17 41.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.79 -44.44 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.453 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1167 ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' 1171 ' ' LYS . 53.2 mt-10 -60.5 -47.32 86.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -59.13 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.655 0.264 . . . . 0.0 110.609 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.83 73.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.049 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.454 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1171 ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' 1167 ' ' GLU . 27.3 mtpt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.628 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1183 ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' 1187 ' ' GLN . 6.4 tm0? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -65.41 -43.25 91.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1185 ' ' LEU . . . . . 0.68 ' HB3' ' HG ' ' A' 1106 ' ' LEU . 53.6 mt -56.97 -44.27 82.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.55 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.228 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1187 ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.8 mt-30 -66.1 -50.65 63.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1188 ' ' VAL . . . . . 0.57 HG13 HD22 ' A' 1165 ' ' LEU . 7.9 p -70.77 -38.36 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.405 -175.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.18 86.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1190 ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' 1190 ' ' LYS . 12.3 tppt? -65.68 -39.78 91.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.731 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.957 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1192 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1188 ' ' VAL . 67.9 t -62.07 -47.12 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.434 . . . . 0.0 109.97 175.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 25.7 m -61.44 -38.25 86.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.107 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.29 -45.2 73.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.35 95.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1196 ' ' LEU . . . . . 1.02 ' HB3' HG23 ' A' 1095 ' ' THR . 76.2 mt -55.1 -50.11 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.949 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.17 -43.3 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.87 -24.88 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.746 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 19.6 t -73.15 -49.09 30.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1200 ' ' VAL . . . . . 0.559 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 16.3 m -70.51 -21.92 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.539 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 69.6 m -70.55 -25.43 63.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.605 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1202 ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 95.0 m -86.49 -5.19 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.499 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1203 ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' 1200 ' ' VAL . 74.2 mt -62.25 127.58 89.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1204 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 3.3 Cg_exo . . . . . 0 N--CA 1.455 -0.772 0 C-N-CA 123.263 2.642 . . . . 0.0 112.014 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.511 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 40.3 mm 54.96 78.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.649 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.15 123.14 59.92 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.47 52.42 2.78 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.88 2.386 . . . . 0.0 112.249 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 32.6 t80 -97.83 23.4 8.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.803 0.811 . . . . 0.0 109.36 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 3.5 p -82.8 11.54 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.15 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -77.74 -74.63 0.99 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.414 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.89 35.94 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.911 2.408 . . . . 0.0 113.307 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.52 -1.69 25.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.111 0.481 . . . . 0.0 111.481 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' 1118 ' ' GLY . 61.8 mm-40 -62.75 -34.93 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.544 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.8 mtt -65.6 -44.44 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.62 -40.06 94.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.259 0.552 . . . . 0.0 110.162 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 22.1 m -64.93 -39.21 93.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.655 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.95 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.732 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.34 -43.94 83.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.9 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 38.8 m -57.78 -41.32 81.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.594 ' O ' ' HG ' ' A' 1060 ' ' LEU . 60.5 t -61.58 -46.45 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.615 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.3 t -65.84 -38.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' 1061 ' ' GLU . 98.5 mt-30 -67.78 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 177.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -76.62 -27.93 55.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.381 172.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.684 HD21 ' HG2' ' A' 1129 ' ' ARG . 78.9 mt -69.25 -43.88 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' 1065 ' ' GLN . 1.5 pt-20 -59.98 -43.84 94.86 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.278 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -71.92 -26.18 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.07 -49.76 73.23 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.578 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.4 mt -75.0 -21.44 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1061 ' ' GLU . 13.0 mm100 -57.44 -46.62 83.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.037 0.446 . . . . 0.0 110.367 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.42 -36.65 84.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.136 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' 1064 ' ' LEU . 81.4 mt -71.72 -37.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.384 -177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 56.8 mttm -55.68 -51.79 66.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.462 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.74 94.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.553 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1070 ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -63.43 -46.29 87.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.151 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.641 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' 1072 ' ' ARG . 0.6 OUTLIER -59.81 -42.94 94.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.1 176.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.986 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.19 29.78 2.9 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.936 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1075 ' ' LYS . . . . . 0.582 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 60.2 mttp -90.09 -84.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' 1140 ' ' ALA . 24.2 mt 47.97 -164.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.509 0.506 . . . . 0.0 112.278 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' 1077 ' ' LYS . 15.8 tppt? -125.21 85.31 58.37 Favored Pre-proline 0 N--CA 1.439 -1.007 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.35 27.98 0.56 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.449 2.766 . . . . 0.0 113.346 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 11.2 mp -76.75 115.42 47.91 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.358 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 2.0 Cg_endo -83.72 30.12 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.537 2.825 . . . . 0.0 112.805 -177.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.45 65.65 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.3 113.09 25.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 3.9 p -73.18 155.43 39.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.865 0.364 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 51.2 ttm -59.15 -34.22 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.294 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.13 -38.14 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.686 0.279 . . . . 0.0 110.85 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -77.22 -40.38 45.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.744 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.0 m -65.4 -41.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.105 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1088 ' ' THR . . . . . 0.498 HG22 HD13 ' A' 1203 ' ' LEU . 24.8 p -71.33 -33.31 69.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -67.71 -45.11 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.077 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.7 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.73 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.713 HD23 HD11 ' A' 1203 ' ' LEU . 21.4 tp -59.06 -45.64 90.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.574 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.451 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -61.54 -42.1 99.7 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.924 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.29 -42.24 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.527 0.203 . . . . 0.0 110.681 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 43.2 m -58.14 -41.26 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.969 0.414 . . . . 0.0 110.158 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' 1196 ' ' LEU . 81.3 m -56.82 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.823 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1092 ' ' GLY . 61.9 mttm -65.38 -33.33 75.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.23 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.405 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.5 p -71.24 -23.56 23.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.969 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 70.4 m -64.93 -33.23 75.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.181 0.515 . . . . 0.0 110.189 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.37 -32.9 60.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.734 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.55 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.665 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' 1106 ' ' LEU . 38.6 pt -64.41 -30.69 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.925 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.77 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.147 0.498 . . . . 0.0 110.57 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -75.1 -32.48 61.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.407 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.16 -38.08 69.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 110.517 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' 1189 ' ' ALA . 4.6 mm? -80.84 8.6 7.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -98.76 117.94 6.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.876 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 63.61 -160.65 0.3 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.668 0.387 . . . . 0.0 110.428 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.48 HG12 ' HA2' ' A' 1177 ' ' GLY . 7.0 tp -139.59 137.6 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -84.36 109.75 18.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.125 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1111 ' ' GLN . . . . . 0.562 ' HG2' ' HA ' ' A' 1176 ' ' PRO . 79.5 mt-30 -102.99 91.93 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.925 -176.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 84.26 -57.73 5.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.533 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 57.5 t30 -147.08 134.35 20.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.483 ' OE1' ' HB2' ' A' 1116 ' ' TYR . 0.9 OUTLIER -161.72 140.65 9.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -89.11 -44.46 10.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1116 ' ' TYR . . . . . 0.483 ' HB2' ' OE1' ' A' 1114 ' ' GLU . 55.0 m-85 -59.44 -41.44 89.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.281 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.544 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -51.17 -43.12 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.065 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' 1049 ' ' GLU . . . -75.6 -40.74 31.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.233 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.79 -42.17 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.339 . . . . 0.0 111.009 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.91 74.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.662 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.73 -33.74 76.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.164 0.507 . . . . 0.0 110.403 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -71.79 -36.26 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.182 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.68 -40.3 80.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.301 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -63.65 -43.84 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.616 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.53 84.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.832 0.348 . . . . 0.0 110.993 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.23 -42.07 99.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.391 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1127 ' ' GLY . . . . . 0.466 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -64.43 -38.2 95.48 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.952 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' 1124 ' ' VAL . 63.6 mt -68.81 -35.67 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.556 0.217 . . . . 0.0 110.961 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.684 ' HG2' HD21 ' A' 1060 ' ' LEU . 33.6 mtp180 -61.84 -51.29 68.82 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.197 0.523 . . . . 0.0 110.0 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.5 t -57.88 -40.42 80.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.296 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.48 HD22 HD12 ' A' 1091 ' ' LEU . 1.7 tm? -59.97 -56.27 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.952 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.578 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.4 -41.71 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.935 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.5 -37.66 87.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.595 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.76 68.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.663 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.403 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -64.32 -45.97 85.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.481 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.52 ' HD2' HD13 ' A' 1067 ' ' ILE . 35.2 ptt180 -67.95 -25.57 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.627 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.4 -45.13 70.57 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 55.9 t -54.63 -46.45 72.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -63.9 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.428 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.19 -26.76 56.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.459 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.4 mt -80.8 -36.87 31.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.348 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.409 HG21 HG23 ' A' 1147 ' ' VAL . 9.9 t -80.77 150.43 29.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.196 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 32.2 p -109.7 4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.736 0.303 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -85.87 112.95 48.76 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.55 67.05 5.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.096 2.53 . . . . 0.0 111.931 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.43 -55.48 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.207 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' 1151 ' ' VAL . 29.8 m -69.4 -27.25 33.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.52 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.3 mt-30 -57.38 -46.04 83.82 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 177.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.74 62.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -38.65 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.511 -175.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -71.15 -33.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -78.15 -41.59 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.266 0.555 . . . . 0.0 110.207 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.7 -45.31 85.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.297 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.558 ' O ' HG23 ' A' 1158 ' ' VAL . 9.4 p -64.3 -42.64 96.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.848 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.84 81.41 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.09 0.471 . . . . 0.0 110.788 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.3 m -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.9 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.257 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' 1154 ' ' THR . 99.1 t -58.46 -59.23 3.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' 1160 ' ' ASP . 4.5 pp -64.81 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' 1159 ' ' LEU . 13.3 t70 -57.23 -53.43 58.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.493 0.663 . . . . 0.0 110.265 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -34.95 72.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.27 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.33 -28.37 69.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.112 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.583 ' O ' ' HG3' ' A' 1167 ' ' GLU . 53.8 m -61.17 -54.05 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 50.9 m -68.86 -23.47 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' 1162 ' ' ALA . 45.2 tp -59.57 -46.96 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 67.9 mt -73.5 -39.15 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.982 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' 1163 ' ' SER . 47.2 mt-10 -56.31 -50.71 70.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.513 ' HA ' ' HD3' ' A' 1171 ' ' LYS . 7.1 tp10 -60.86 -43.58 98.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.36 92.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.069 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.56 -46.03 73.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' 1168 ' ' GLU . 30.9 mtpt -69.83 -41.0 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.396 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.29 -31.57 72.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.305 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 35.4 t -65.47 -20.69 66.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.58 11.01 66.86 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.767 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.596 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 12.2 m-70 -123.95 117.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' A' 1111 ' ' GLN . 23.3 Cg_exo -68.96 56.07 1.01 Allowed 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.727 2.952 . . . . 0.0 112.319 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1177 ' ' GLY . . . . . 0.48 ' HA2' HG12 ' A' 1109 ' ' ILE . . . 94.45 78.33 1.41 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.596 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 16.1 t70 -99.39 127.58 34.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.529 ' O ' ' HG3' ' A' 1183 ' ' GLN . 29.9 Cg_endo -64.76 -52.36 1.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.538 2.158 . . . . 0.0 112.61 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -66.72 -41.95 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 51.1 m -57.4 -45.24 84.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.042 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -69.88 -34.44 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.565 0.221 . . . . 0.0 111.072 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' 1179 ' ' PRO . 97.2 mt-30 -60.32 -48.49 81.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.169 0.509 . . . . 0.0 110.208 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -71.68 -35.2 70.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.571 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' 1168 ' ' GLU . 15.7 tp -61.43 -41.32 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.662 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.39 94.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.843 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -63.81 -47.99 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.195 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' 1192 ' ' VAL . 11.1 p -71.48 -29.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.686 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.46 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.163 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -67.99 -32.45 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.792 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.31 83.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1188 ' ' VAL . 61.3 t -63.91 -43.89 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.743 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 16.8 m -60.63 -42.32 96.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.899 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1194 ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' 1190 ' ' LYS . 27.2 mm-40 -63.4 -41.74 98.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.82 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' 1095 ' ' THR . 84.5 mt -57.55 -49.25 76.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.6 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.58 -29.76 70.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.793 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -75.49 -31.13 60.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.8 t -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 24.0 m -67.02 -24.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.93 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.0 t -78.37 -38.27 42.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -80.1 -1.74 41.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.713 HD11 HD23 ' A' 1091 ' ' LEU . 93.8 mt -59.44 138.63 89.09 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.31 106.45 1.21 Allowed 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.488 2.125 . . . . 0.0 111.976 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -136.4 27.69 2.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -82.85 98.76 9.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.971 0.415 . . . . 0.0 110.217 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' 1207 ' ' ARG . 46.4 mtm105 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.024 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 62.4 mt -96.47 96.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.251 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.769 ' HB2' ' HD2' ' A' 1043 ' ' PRO . 7.5 p-10 -171.55 175.1 1.3 Allowed Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.769 ' HD2' ' HB2' ' A' 1042 ' ' ASP . 12.1 Cg_endo -57.29 88.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.433 2.089 . . . . 0.0 112.451 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -177.04 93.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.94 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 15.2 t -145.81 2.4 0.92 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -74.01 -63.42 2.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.253 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -87.24 39.34 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.385 2.723 . . . . 0.0 111.062 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.12 -21.4 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.047 -173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.4 -34.07 66.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.807 0.337 . . . . 0.0 110.965 -175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 20.1 mtt -71.26 -44.41 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.136 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -72.45 -31.96 65.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.401 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1052 ' ' SER . . . . . 0.403 ' O ' HG23 ' A' 1056 ' ' VAL . 24.0 m -62.69 -46.14 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 173.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.57 96.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' 1057 ' ' VAL . 48.6 tp -60.54 -39.37 87.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.727 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -44.84 95.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' 1060 ' ' LEU . 82.9 t -67.86 -45.83 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.236 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.1 p -63.25 -33.09 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.035 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 72.1 mt-30 -67.58 -39.01 84.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.682 0.277 . . . . 0.0 110.671 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -63.39 -45.99 88.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' 1057 ' ' VAL . 80.1 mt -57.95 -49.59 76.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.272 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.585 ' CB ' HD13 ' A' 1159 ' ' LEU . 12.2 pt-20 -66.45 -38.6 87.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -176.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.95 -33.7 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.049 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' 1067 ' ' ILE . 0.6 OUTLIER -58.88 -48.46 81.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.096 0.474 . . . . 0.0 109.775 172.693 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.524 HD23 HD12 ' A' 1067 ' ' ILE . 77.2 mt -64.07 -27.86 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.29 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' 1061 ' ' GLU . 81.0 mt-30 -66.51 -40.65 89.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.101 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.44 -43.46 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.938 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.606 HG22 HD13 ' A' 1152 ' ' LEU . 61.9 mt -65.32 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.64 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 36.4 ttmt -61.78 -41.28 97.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 110.313 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.85 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.421 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.93 91.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.82 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.256 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' 1072 ' ' ARG . 8.1 tpp180 -57.79 -52.22 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.48 -27.64 56.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.68 45.71 2.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -119.07 23.02 11.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.735 0.302 . . . . 0.0 110.748 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' 1078 ' ' PRO . 96.4 mt -63.35 163.65 10.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.369 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.574 ' HB3' HD13 ' A' 1079 ' ' LEU . 31.5 mmmt -93.09 104.19 11.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' 1076 ' ' LEU . 10.3 Cg_endo -88.28 30.92 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.355 2.703 . . . . 0.0 112.676 -175.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' 1077 ' ' LYS . 10.0 mp -65.96 135.22 95.21 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.449 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.64 145.63 23.33 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.522 2.148 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 151.44 -56.45 0.45 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.624 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1082 ' ' GLU . . . . . 0.451 ' O ' HD11 ' A' 1141 ' ' LEU . 10.5 mm-40 -85.8 107.64 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1083 ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 44.7 p -77.02 155.83 32.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1084 ' ' MET . . . . . 0.596 ' SD ' ' HB2' ' A' 1206 ' ' GLN . 50.4 ttm -67.47 -30.83 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.436 ' OE1' ' HB ' ' A' 1083 ' ' THR . 3.3 mp0 -57.76 -53.14 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 40.3 tptt -53.75 -52.33 60.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.641 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1087 ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' 1091 ' ' LEU . 72.6 m -59.38 -54.3 48.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.981 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.1 p -67.28 -38.59 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -70.84 -48.25 55.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.76 -29.66 67.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.641 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.822 HD23 HD11 ' A' 1203 ' ' LEU . 17.4 tp -60.47 -49.48 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.918 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.46 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.03 -37.23 94.09 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.4 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.62 -38.7 77.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.664 0.269 . . . . 0.0 110.91 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.461 ' O ' HG12 ' A' 1098 ' ' VAL . 51.1 m -68.12 -33.33 74.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 174.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.1 m -58.56 -57.39 13.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.026 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -62.65 -38.27 89.64 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.19 -58.33 8.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.283 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.3 p -73.67 -23.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.15 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 34.8 t -63.85 -38.73 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 0.0 110.275 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 34.5 t -75.05 -28.15 60.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.46 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -71.24 -46.02 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.519 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' 1189 ' ' ALA . 13.1 pt -65.44 -28.45 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -68.27 -31.71 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.329 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 54.3 mtmt -75.74 -26.22 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.812 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.425 HD11 HG11 ' A' 1124 ' ' VAL . 71.6 mt -68.07 -25.64 65.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.643 HD23 HD12 ' A' 1185 ' ' LEU . 97.0 mt -59.57 114.11 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -166.95 -162.99 19.96 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -99.37 -49.05 4.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.096 0.474 . . . . 0.0 110.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' 1111 ' ' GLN . 22.5 pt -138.8 165.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.531 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -113.72 25.14 11.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.239 0.542 . . . . 0.0 109.863 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1111 ' ' GLN . . . . . 0.558 ' HB2' HD12 ' A' 1109 ' ' ILE . 15.3 mm100 -74.58 -179.93 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.336 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -58.19 -35.77 79.3 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.314 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 11.4 t30 -57.55 -35.53 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.939 0.4 . . . . 0.0 110.912 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -103.34 78.91 1.66 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.055 0.455 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 20.8 m120 -67.63 -20.21 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -57.02 -27.42 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.22 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.28 -46.39 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.202 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -74.7 -40.73 36.84 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.067 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.93 -44.67 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.854 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.05 62.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.324 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.41 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.51 -31.49 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -75.33 -33.73 61.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.197 0.522 . . . . 0.0 109.796 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -70.77 -43.37 68.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.78 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 26.4 m -62.98 -42.04 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.686 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.94 77.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.657 0.265 . . . . 0.0 110.856 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.88 98.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.385 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1127 ' ' GLY . . . . . 0.403 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -69.96 -42.69 68.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 70.9 mt -65.7 -40.56 92.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.52 0.2 . . . . 0.0 111.39 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.552 ' O ' ' HG3' ' A' 1133 ' ' GLN . 14.4 ptm180 -69.69 -36.13 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.669 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 17.4 m -70.24 -36.12 74.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.015 0.435 . . . . 0.0 110.064 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.53 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -56.21 -49.02 75.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.465 175.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.33 -44.31 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.618 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' 1129 ' ' ARG . 95.9 mt-30 -58.81 -49.47 77.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.608 -177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1134 ' ' ALA . . . . . 0.511 ' HB3' HD13 ' A' 1091 ' ' LEU . . . -65.47 -38.3 89.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.478 -176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.94 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.007 0.432 . . . . 0.0 111.199 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.404 ' HG2' HD13 ' A' 1067 ' ' ILE . 58.3 mtp180 -60.75 -40.04 90.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.55 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.93 -48.9 71.65 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.074 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.472 ' HB ' HG21 ' A' 1151 ' ' VAL . 97.7 t -53.1 -49.95 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.22 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.64 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.721 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.88 -26.37 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.426 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' 1137 ' ' GLY . 88.5 mt -84.11 -42.28 16.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.41 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.452 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -71.24 145.75 49.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.754 -176.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 11.7 t -104.35 3.38 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.7 t70 -89.23 112.17 49.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.783 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -73.33 66.97 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.816 2.344 . . . . 0.0 111.84 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1146 ' ' ALA . . . . . 0.411 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -164.74 -56.02 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.085 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' 1151 ' ' VAL . 24.5 m -66.52 -25.64 35.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.8 mt-30 -54.36 -49.36 69.99 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.411 0.624 . . . . 0.0 110.479 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.37 59.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.523 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -40.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.522 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -67.63 -34.35 67.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.05 0.452 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.2 mt -77.86 -43.34 30.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.233 0.539 . . . . 0.0 110.33 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1153 ' ' ASP . . . . . 0.655 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 25.9 t70 -61.59 -41.29 97.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.051 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.519 ' O ' HG23 ' A' 1158 ' ' VAL . 18.0 p -66.05 -46.98 75.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.02 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.07 99.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.968 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1156 ' ' SER . . . . . 0.784 ' HA ' HD11 ' A' 1159 ' ' LEU . 23.3 t -66.99 -24.51 66.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.313 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD2' ' A' 1161 ' ' LYS . 30.4 t70 -78.35 -31.06 48.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1154 ' ' THR . 92.1 t -63.05 -62.36 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.081 0.467 . . . . 0.0 111.14 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' 1156 ' ' SER . 0.2 OUTLIER -65.78 -28.32 68.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.303 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' 1157 ' ' ASP . 5.7 t70 -47.01 -53.04 13.36 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.29 0.566 . . . . 0.0 111.054 173.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' 1157 ' ' ASP . 7.2 mttp -77.52 -26.68 51.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.177 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.86 -35.76 82.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 54.0 m -61.34 -49.62 76.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 4.1 p -69.85 -26.6 64.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.583 0.23 . . . . 0.0 110.885 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.778 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.6 tt -61.28 -52.29 65.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.98 -41.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.924 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' 1171 ' ' LYS . 45.5 mt-10 -59.68 -53.9 52.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.919 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.96 -31.25 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.005 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.85 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.77 -38.41 91.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.163 0.506 . . . . 0.0 109.643 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' 1167 ' ' GLU . 5.6 mptp? -70.84 -23.92 62.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.067 176.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1172 ' ' ALA . . . . . 0.673 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -61.95 -28.02 69.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.801 0.334 . . . . 0.0 110.704 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1173 ' ' SER . . . . . 0.525 ' HB3' ' OE1' ' A' 1111 ' ' GLN . 20.8 m -68.15 -14.21 62.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.714 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -109.97 8.22 31.45 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.674 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.673 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 97.1 m-70 -105.14 98.46 16.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.45 88.55 1.35 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.424 2.083 . . . . 0.0 112.523 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 60.9 58.64 12.7 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.265 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -103.67 118.08 58.3 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.689 0.28 . . . . 0.0 110.954 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.9 -34.73 70.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.991 2.461 . . . . 0.0 112.571 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1184 ' ' ARG . 16.3 mm-40 -64.22 -43.64 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.152 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1181 ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' 1184 ' ' ARG . 39.3 m -62.36 -32.68 73.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.134 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.112 0.482 . . . . 0.0 110.313 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -78.96 -49.81 12.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.287 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' 1180 ' ' GLU . 46.6 mtp85 -54.14 -50.36 67.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.77 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.643 HD12 HD23 ' A' 1106 ' ' LEU . 0.2 OUTLIER -62.93 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.418 -177.554 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.16 -50.3 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.613 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.778 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.3 p -65.16 -32.15 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.593 0.235 . . . . 0.0 111.258 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -65.63 -48.24 72.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.627 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -73.17 -23.1 60.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.74 95.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 109.983 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1188 ' ' VAL . 60.9 t -65.64 -37.9 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.054 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 6.9 m -59.18 -46.43 88.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.678 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -70.95 -31.31 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.48 90.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.009 0.433 . . . . 0.0 110.008 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.913 ' HB3' HG23 ' A' 1095 ' ' THR . 70.5 mt -56.77 -50.77 71.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.243 174.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.15 -42.75 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.34 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -60.9 -37.33 81.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.6 t -72.93 -47.42 45.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.296 0.57 . . . . 0.0 110.114 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 20.6 m -68.45 -21.38 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.905 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -37.9 52.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 25.7 p -83.14 -1.33 52.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.699 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.822 HD11 HD23 ' A' 1091 ' ' LEU . 72.3 mt -62.4 130.09 92.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.9 144.09 21.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.46 2.106 . . . . 0.0 111.103 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -90.79 6.0 82.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.473 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.596 ' HB2' ' SD ' ' A' 1084 ' ' MET . 65.0 tt0 58.55 76.0 0.36 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.129 -175.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.362 -179.469 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 25.2 pt -77.49 -0.98 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.547 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.88 137.23 22.24 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.68 101.83 0.81 Allowed 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.711 2.274 . . . . 0.0 111.18 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 28.4 t80 -123.33 20.7 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.487 0.661 . . . . 0.0 110.246 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 6.2 p -89.79 -5.43 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.605 0.717 . . . . 0.0 110.169 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -150.83 75.54 0.25 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.811 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.41 32.44 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.716 2.944 . . . . 0.0 113.642 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 94.4 mt -89.09 31.59 0.87 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.45 -20.6 65.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.176 -173.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 41.6 mtt -63.13 -36.37 83.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.288 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1052 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 1056 ' ' VAL . 23.3 m -64.81 -47.2 78.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.994 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1057 ' ' VAL . . . -57.21 -41.38 79.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.304 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 27.0 t -62.9 -37.27 86.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' 1052 ' ' SER . 93.8 t -58.86 -49.48 82.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.309 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -55.64 -43.08 71.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 110.534 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.58 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 78.5 mt-30 -61.92 -27.9 69.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.635 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -67.13 -48.76 67.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.247 -0.283 . . . . 0.0 110.556 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' 1132 ' ' ALA . 3.7 mm? -62.67 -43.99 97.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.58 ' HG2' ' HA ' ' A' 1058 ' ' GLN . 11.5 pt-20 -60.36 -40.48 90.89 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.181 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' 1058 ' ' GLN . 57.2 mttm -72.57 -33.31 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.419 . . . . 0.0 110.525 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.88 -50.89 70.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.841 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.664 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.5 mt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.087 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' 1061 ' ' GLU . 72.1 mt-30 -61.89 -31.25 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.805 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.453 HG23 HD21 ' A' 1076 ' ' LEU . 2.7 mp -65.86 -36.36 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -58.99 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.12 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.16 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.953 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -69.17 -35.28 76.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 0.0 110.812 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -66.04 -47.01 75.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 39.0 t70 -77.81 -35.81 50.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.995 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 104.18 44.3 1.63 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.54 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -122.25 17.38 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.248 0.219 . . . . 0.0 111.269 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' 1071 ' ' ALA . 20.2 mt -66.41 157.87 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.977 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' 1077 ' ' LYS . 2.3 mptp? -107.84 101.34 40.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.866 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.47 -19.65 6.29 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.471 2.114 . . . . 0.0 113.833 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.615 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 10.3 mp -77.15 -49.15 2.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 16.8 Cg_exo -71.26 -154.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.125 1.883 . . . . 0.0 111.059 165.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 81.13 2.61 90.55 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.777 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.56 -157.09 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.984 0.514 . . . . 0.0 110.963 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.0 p -95.15 147.17 23.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.402 . . . . 0.0 111.51 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.4 tpp -68.1 -35.62 78.45 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.05 -40.2 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.781 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 74.0 tttt -70.69 -55.47 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.547 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1087 ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' 1091 ' ' LEU . 77.6 m -53.7 -46.37 70.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.523 -172.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 20.6 p -67.64 -45.69 74.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.823 0.344 . . . . 0.0 111.498 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -70.61 -41.9 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.09 -34.17 75.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.793 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -60.19 -43.91 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.43 -36.38 92.54 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.068 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1093 ' ' ASN . . . . . 0.504 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.0 m-20 -70.72 -38.23 73.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.709 -0.289 . . . . 0.0 110.524 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.42 ' O ' HG12 ' A' 1098 ' ' VAL . 31.7 m -64.0 -38.73 92.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 109.888 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.844 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.5 m -56.61 -56.33 22.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.24 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 0.1 OUTLIER -67.18 -34.87 78.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.0 -55.76 28.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.062 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.529 HG21 HD21 ' A' 1128 ' ' LEU . 13.6 p -75.71 -22.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.4 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.148 0.499 . . . . 0.0 109.823 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 31.8 m -73.51 -24.4 60.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.394 0.616 . . . . 0.0 110.246 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -72.89 -49.22 31.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.449 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.2 pt -65.46 -23.18 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.36 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.803 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.13 -28.55 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.782 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.32 -37.58 68.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.543 HD23 HD12 ' A' 1185 ' ' LEU . 97.5 mt -75.52 86.45 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.682 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -128.85 175.28 18.82 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.401 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1108 ' ' GLU . . . . . 0.43 ' HB3' ' H ' ' A' 1109 ' ' ILE . 7.6 mp0 -90.27 -153.08 0.28 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.552 HG12 ' HA3' ' A' 1177 ' ' GLY . 37.4 mt -76.39 77.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.424 0.63 . . . . 0.0 109.808 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -115.94 9.44 14.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.96 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.51 155.77 28.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.208 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 131.2 -28.96 3.56 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -172.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -125.5 128.14 47.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.255 -0.973 . . . . 0.0 108.43 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.32 5.56 10.19 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -65.02 -56.29 13.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -56.9 -43.74 81.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.694 0.283 . . . . 0.0 111.576 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.87 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -67.25 -49.26 53.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.292 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.59 -46.23 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.649 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.555 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -67.43 -30.66 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -71.07 -35.11 71.76 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.002 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.82 -36.96 56.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.175 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' 1128 ' ' LEU . 31.6 m -65.75 -39.9 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.788 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.01 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.007 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.64 -37.59 94.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.519 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1127 ' ' GLY . . . . . 0.467 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -76.3 -38.55 33.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.246 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' 1124 ' ' VAL . 61.2 mt -68.45 -40.5 81.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.258 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.497 ' HA ' ' HG ' ' A' 1060 ' ' LEU . 40.0 ptt180 -66.71 -31.46 72.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.416 . . . . 0.0 110.494 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 31.5 t -75.52 -38.9 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.923 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.406 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.35 -52.74 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.27 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' 1060 ' ' LEU . . . -60.81 -38.67 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.322 -175.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -64.04 -46.64 83.51 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -64.39 -33.09 75.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.536 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.48 -32.92 74.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.7 mtm180 -65.77 -40.44 92.02 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.388 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.662 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -50.93 58.51 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.684 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 93.6 t -50.72 -48.48 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.727 0.298 . . . . 0.0 111.379 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -59.63 -46.01 90.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.879 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.07 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.874 0.369 . . . . 0.0 111.451 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' 1137 ' ' GLY . 47.6 mt -81.13 -36.55 30.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.678 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.472 HG21 HG23 ' A' 1147 ' ' VAL . 15.2 t -69.35 -29.51 67.33 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.552 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 27.5 t 73.07 -39.98 0.46 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 174.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.415 ' HB3' HG22 ' A' 1147 ' ' VAL . 11.1 t70 -56.3 118.12 19.98 Favored Pre-proline 0 N--CA 1.466 0.351 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.81 66.91 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.979 2.453 . . . . 0.0 111.778 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.45 -55.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.707 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.472 HG23 HG21 ' A' 1142 ' ' THR . 27.0 m -67.88 -27.2 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.302 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.654 ' O ' ' HG ' ' A' 1152 ' ' LEU . 95.2 mt-30 -57.4 -46.23 83.7 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 172.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.23 -34.59 75.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -40.77 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.685 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' 1147 ' ' VAL . 4.9 p -67.06 -37.72 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1148 ' ' GLN . 29.4 mt -75.86 -42.21 50.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 110.172 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.61 -44.17 96.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.453 ' O ' HG23 ' A' 1158 ' ' VAL . 17.5 p -67.41 -40.55 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.599 0.238 . . . . 0.0 110.853 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.67 84.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.048 0.452 . . . . 0.0 110.524 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1156 ' ' SER . . . . . 0.468 ' HA ' ' HG ' ' A' 1159 ' ' LEU . 26.2 t -66.54 -43.23 85.67 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 176.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1157 ' ' ASP . . . . . 0.497 ' O ' ' HD3' ' A' 1161 ' ' LYS . 24.8 t70 -56.25 -32.91 64.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 110.008 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' 1154 ' ' THR . 97.8 t -61.37 -56.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.633 174.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -71.37 -30.96 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.673 -175.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' 1159 ' ' LEU . 8.5 m-20 -58.38 -48.41 80.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.115 0.483 . . . . 0.0 110.048 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' 1157 ' ' ASP . 4.8 mptp? -75.69 -34.44 60.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.683 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.55 -37.0 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.682 177.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1167 ' ' GLU . 22.7 t -59.24 -54.51 46.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.555 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.3 t -64.02 -29.77 70.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.779 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.734 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.3 tt -61.76 -50.51 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 177.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 74.9 mt -72.13 -39.34 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.055 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.4 mt-10 -63.77 -41.43 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.652 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.645 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 20.6 tp10 -64.22 -44.96 90.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.281 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.63 75.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -56.48 -39.28 72.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 42.3 mtmt -80.36 -42.68 22.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.385 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.61 71.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.829 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 49.8 m -65.07 -30.51 71.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 0.0 110.923 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -80.39 6.51 60.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.78 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.921 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 15.2 m-70 -122.16 106.4 36.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.74 90.04 0.62 Allowed 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.693 2.262 . . . . 0.0 112.568 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1177 ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' 1109 ' ' ILE . . . 73.02 59.9 4.09 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.664 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.921 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 13.5 t70 -97.54 119.36 62.89 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.525 0.202 . . . . 0.0 110.949 -174.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.63 -33.91 76.08 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' 1184 ' ' ARG . 37.6 mt-10 -74.63 -44.76 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.525 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 48.8 m -66.82 -41.96 86.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.183 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.28 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.799 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -69.99 -37.38 75.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.826 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 1180 ' ' GLU . 36.8 mtt180 -64.68 -42.5 95.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.543 HD12 HD23 ' A' 1106 ' ' LEU . 0.3 OUTLIER -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.022 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.65 93.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -61.5 -47.07 87.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.515 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.734 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.6 p -74.25 -34.04 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -174.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.05 90.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.413 0.625 . . . . 0.0 109.762 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 52.6 tttp -62.88 -40.51 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.047 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1191 ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -61.01 -45.98 92.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.071 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.722 HG21 HD12 ' A' 1165 ' ' LEU . 61.8 t -60.01 -39.7 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.439 . . . . 0.0 110.152 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -43.0 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.592 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.93 -38.89 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.848 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.702 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.844 ' HB3' HG23 ' A' 1095 ' ' THR . 69.0 mt -53.98 -51.19 64.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.493 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' 1200 ' ' VAL . 3.4 t30 -55.56 -51.34 67.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.477 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.53 -23.69 64.56 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.195 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 16.7 t -73.5 -47.93 37.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' 1197 ' ' ASN . 11.2 m -69.79 -23.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.073 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.1 -31.31 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.283 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.6 p -86.25 -1.84 57.84 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 122.226 -0.296 . . . . 0.0 111.398 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.793 HD11 HD23 ' A' 1091 ' ' LEU . 89.9 mt -70.08 134.07 87.61 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.99 116.21 4.64 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.593 2.195 . . . . 0.0 110.181 166.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -80.46 48.58 3.67 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.339 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 58.5 95.03 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.54 0.686 . . . . 0.0 111.108 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.102 179.553 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.97 165.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.593 0.235 . . . . 0.0 110.763 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' 1043 ' ' PRO . 38.9 t70 -68.12 115.93 33.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.838 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1042 ' ' ASP . 5.5 Cg_endo -85.38 72.67 4.33 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.163 2.575 . . . . 0.0 113.131 -173.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1044 ' ' PHE . . . . . 0.472 ' HD2' ' HG3' ' A' 1047 ' ' PRO . 12.4 m-85 -120.49 -113.97 0.32 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.288 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 59.6 p 62.28 -32.26 0.09 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.259 1.424 . . . . 0.0 113.526 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' 1044 ' ' PHE . . . -146.41 54.67 0.54 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.882 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1047 ' ' PRO . . . . . 0.472 ' HG3' ' HD2' ' A' 1044 ' ' PHE . 85.9 Cg_endo -87.69 -10.09 5.39 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.418 2.078 . . . . 0.0 111.538 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.99 29.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.097 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.9 -26.72 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.213 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.542 ' HA ' ' HB1' ' A' 1121 ' ' ALA . 52.6 mtt -54.6 -57.06 12.9 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.004 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.92 -30.5 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.564 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 40.2 t -62.26 -51.28 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.21 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -64.09 -40.37 96.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.288 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' 1166 ' ' ILE . 65.0 tp -54.53 -42.65 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.346 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.9 t -56.66 -43.12 80.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.321 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.1 t -67.11 -47.17 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.303 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -56.04 -42.67 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.03 -36.68 75.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.589 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -76.1 -33.5 59.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.82 0.343 . . . . 0.0 110.373 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.6 mt -64.64 -44.31 90.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.288 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.525 ' N ' HD11 ' A' 1159 ' ' LEU . 6.5 pt-20 -66.4 -39.75 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 91.2 mttt -67.71 -34.89 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.051 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.7 -45.99 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.971 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.786 HD21 ' HB1' ' A' 1132 ' ' ALA . 19.1 mt -68.61 -32.12 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.037 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.03 -39.32 91.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.287 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.37 -41.86 98.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.567 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.493 HG23 HD13 ' A' 1076 ' ' LEU . 74.9 mt -67.9 -30.45 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.3 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' 1152 ' ' LEU . 49.1 mtmt -61.31 -35.15 76.59 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.933 0.396 . . . . 0.0 110.388 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.48 63.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.82 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.228 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -66.15 -35.94 81.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -65.5 -44.79 85.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.654 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -8.86 58.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 75.84 34.66 47.59 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.733 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -100.18 -19.54 16.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.716 ' HG ' ' HB2' ' A' 1140 ' ' ALA . 60.7 tp -80.13 109.14 14.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.026 -172.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -120.42 151.0 53.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 169.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.659 ' HB3' ' HA2' ' A' 1137 ' ' GLY . 13.1 Cg_endo -94.16 -67.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.201 1.934 . . . . 0.0 111.89 -176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' 1078 ' ' PRO . 0.8 OUTLIER -173.81 156.39 2.63 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.616 -175.432 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -92.09 100.11 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.639 2.226 . . . . 0.0 111.984 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 153.79 -68.41 0.3 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.581 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1082 ' ' GLU . . . . . 0.556 ' OE1' ' HG2' ' A' 1086 ' ' LYS . 23.9 mm-40 -79.16 136.66 37.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.825 0.345 . . . . 0.0 110.321 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 -172.51 2.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.441 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1084 ' ' MET . . . . . 0.426 ' N ' HD13 ' A' 1141 ' ' LEU . 51.5 ttm -63.5 -32.7 74.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -27.4 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.152 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1086 ' ' LYS . . . . . 0.556 ' HG2' ' OE1' ' A' 1082 ' ' GLU . 2.7 mptm? -68.93 -56.09 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.314 172.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 64.8 m -62.74 -30.86 71.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.841 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1088 ' ' THR . . . . . 0.589 HG22 HD13 ' A' 1203 ' ' LEU . 15.3 p -69.16 -33.49 73.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.706 0.288 . . . . 0.0 110.907 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.88 -39.48 63.89 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.0 -40.8 81.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.118 0.485 . . . . 0.0 109.977 174.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.523 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -61.97 -54.08 46.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.123 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.56 91.06 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.652 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.958 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.512 ' O ' HG12 ' A' 1098 ' ' VAL . 16.3 m -65.04 -38.71 91.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.052 0.453 . . . . 0.0 109.877 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.872 HG23 ' HB3' ' A' 1196 ' ' LEU . 93.4 m -58.75 -57.02 14.88 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.261 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -61.94 -35.95 79.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.01 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.809 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' 1094 ' ' SER . 8.9 p -70.32 -29.97 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.415 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 10.3 t -61.52 -41.64 97.63 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.227 0.536 . . . . 0.0 109.906 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 39.2 t -70.9 -32.33 69.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.346 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.79 67.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' 1106 ' ' LEU . 28.1 pt -63.26 -27.14 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.117 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.749 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' 1104 ' ' LYS . 23.2 ttmm -74.99 -24.5 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -38.8 81.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 175.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' 1189 ' ' ALA . 31.6 mt -66.98 -46.82 73.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.28 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 145.81 165.41 11.37 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.165 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -119.18 160.02 22.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 37.4 pt -92.54 -14.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.572 . . . . 0.0 109.615 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -90.41 -61.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.745 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -122.56 -75.52 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.484 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 61.8 47.98 86.86 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.258 -0.973 . . . . 0.0 110.916 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -93.54 154.88 17.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.007 -172.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.19 92.27 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.756 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 17.2 t-20 173.27 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.683 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1116 ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' 1104 ' ' LYS . 73.4 m-85 -75.06 -25.63 58.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.018 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.46 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.565 0.541 . . . . 0.0 111.995 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.39 -36.6 78.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.413 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.97 -52.6 58.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.722 0.296 . . . . 0.0 111.166 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.2 61.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.392 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' 1050 ' ' MET . . . -70.31 -28.45 65.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.593 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.26 -30.43 57.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 109.702 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.59 -47.35 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.2 m -59.09 -39.73 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.682 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -59.15 -45.82 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.58 -42.43 98.83 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.167 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.79 -46.33 89.98 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.311 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.7 mt -67.05 -42.31 85.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -66.27 -30.6 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.55 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 18.2 m -78.11 -39.05 42.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -49.05 76.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.35 -48.41 79.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.669 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 49.1 mt-30 -70.7 -35.8 72.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.408 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.75 91.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.12 93.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.643 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' 1132 ' ' ALA . 47.5 mtp180 -54.8 -50.13 69.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.659 ' HA2' ' HB3' ' A' 1078 ' ' PRO . . . -55.94 -50.24 62.48 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.975 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.446 HG11 HD22 ' A' 1203 ' ' LEU . 79.8 t -55.5 -47.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.662 0.267 . . . . 0.0 111.353 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -67.17 -38.82 86.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.038 0.447 . . . . 0.0 111.368 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' 1076 ' ' LEU . . . -71.31 -25.86 62.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.61 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' 1084 ' ' MET . 38.2 mt -84.09 -30.75 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.783 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 8.3 t -82.58 155.77 24.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 31.9 p -113.26 4.01 16.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 0.0 110.902 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' 1147 ' ' VAL . 11.4 m-20 -84.53 113.53 49.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -76.2 66.52 7.02 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.471 2.114 . . . . 0.0 112.142 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.45 -56.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.074 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' 1151 ' ' VAL . 18.4 m -64.39 -30.72 50.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.728 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.631 ' O ' ' HG ' ' A' 1152 ' ' LEU . 46.0 mt-30 -53.31 -52.46 59.06 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.129 0.49 . . . . 0.0 110.877 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.4 66.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -40.96 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.791 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -69.58 -36.36 70.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' 1148 ' ' GLN . 38.6 mt -75.38 -42.91 52.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.416 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.0 -41.47 98.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.104 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.623 HG22 ' HE ' ' A' 1198 ' ' ARG . 23.1 p -68.81 -43.99 74.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.524 177.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.52 92.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.701 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1156 ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 10.8 t -68.57 -26.61 65.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.199 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.58 -32.18 60.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1154 ' ' THR . 96.8 t -55.93 -57.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.251 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' 1159 ' ' LEU . 2.1 pt? -77.73 -28.67 50.87 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.109 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -50.07 -44.74 51.97 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.2 0.524 . . . . 0.0 110.627 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.4 mptt -76.46 -28.64 56.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.588 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' 1166 ' ' ILE . . . -69.71 -32.17 70.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.368 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1167 ' ' GLU . 43.1 m -59.34 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.151 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 3.7 p -72.55 -22.52 61.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.877 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.836 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -63.58 -50.86 67.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1162 ' ' ALA . 65.5 mt -68.07 -40.53 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.662 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.448 ' HG2' HD21 ' A' 1054 ' ' LEU . 32.1 mt-10 -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 110.932 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.25 -47.85 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1169 ' ' ALA . . . . . 0.489 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -64.09 -31.59 72.83 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -59.88 -42.07 92.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.074 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -79.69 -30.05 40.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.573 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -62.54 -25.94 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 49.2 m -66.06 -19.81 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.449 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -88.26 7.49 81.38 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.741 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.44 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 80.6 m80 -108.81 134.77 20.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 5.9 Cg_exo -78.96 23.22 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.03 2.487 . . . . 0.0 112.663 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 110.21 79.29 1.05 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 8.6 t0 -111.54 131.1 22.49 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.574 0.226 . . . . 0.0 110.739 -172.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.415 ' HA ' ' OE1' ' A' 1182 ' ' GLN . 27.8 Cg_endo -63.74 -31.24 69.15 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.486 2.124 . . . . 0.0 112.613 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.43 -34.8 61.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 13.2 p -69.12 -30.5 68.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1179 ' ' PRO . 97.2 mt-30 -62.88 -32.65 73.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.079 173.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' 1187 ' ' GLN . 59.3 mt-30 -76.27 -44.52 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.511 ' HD2' ' OE1' ' A' 1187 ' ' GLN . 17.5 mmm180 -59.39 -48.31 82.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.786 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' 1106 ' ' LEU . 3.5 mm? -55.22 -45.14 75.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1186 ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' 1190 ' ' LYS . . . -63.96 -40.8 97.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.294 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.511 ' OE1' ' HD2' ' A' 1184 ' ' ARG . 98.1 mt-30 -60.52 -49.83 76.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.096 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.836 HG13 ' HG ' ' A' 1165 ' ' LEU . 14.4 p -76.55 -31.09 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.418 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' 1186 ' ' ALA . 14.5 mmmm -66.87 -29.34 69.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.16 99.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.105 0.479 . . . . 0.0 110.07 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.566 HG21 HD12 ' A' 1165 ' ' LEU . 39.6 t -67.53 -38.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.048 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 22.5 m -60.33 -42.91 96.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.362 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' 1158 ' ' VAL . . . -60.17 -43.47 95.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.949 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' 1095 ' ' THR . 86.2 mt -56.42 -52.57 64.17 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.938 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.95 -38.71 89.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1198 ' ' ARG . . . . . 0.623 ' HE ' HG22 ' A' 1154 ' ' THR . 22.7 ttt180 -60.43 -37.12 79.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.988 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 21.0 t -74.24 -47.92 32.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.23 0.538 . . . . 0.0 110.101 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 17.8 m -69.3 -23.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.22 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.2 t -78.26 -34.97 48.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.682 0.277 . . . . 0.0 111.076 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -81.44 -1.54 46.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 111.443 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.589 HD13 HG22 ' A' 1088 ' ' THR . 94.8 mt -58.72 138.85 86.46 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1204 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 32.0 Cg_exo -57.9 118.19 5.03 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.854 2.369 . . . . 0.0 112.165 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -77.88 79.18 1.46 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.717 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.415 HE22 ' HB3' ' A' 1084 ' ' MET . 7.7 pt20 -64.86 115.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.415 0.626 . . . . 0.0 110.977 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' 1207 ' ' ARG . 4.8 ptm180 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.853 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1041 ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' 1044 ' ' PHE . 8.1 tp -87.67 125.89 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.045 0.45 . . . . 0.0 110.354 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.505 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 26.9 t70 -79.59 -54.43 0.94 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.991 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 87.7 Cg_endo -78.93 58.76 7.06 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.984 1.789 . . . . 0.0 112.109 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1044 ' ' PHE . . . . . 0.655 ' HB3' HG23 ' A' 1041 ' ' ILE . 34.7 p90 -82.24 13.31 3.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.154 0.502 . . . . 0.0 111.343 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 46.3 p -85.86 0.5 52.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.763 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 101.47 84.25 1.79 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.436 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.52 91.32 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.691 2.261 . . . . 0.0 111.796 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 81.9 mt -90.84 -166.83 1.67 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.48 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 41.8 mt-10 -71.27 -20.08 62.26 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.395 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 52.0 mtt -71.6 -38.92 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.59 -38.66 85.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 110.526 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1052 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 1056 ' ' VAL . 9.3 m -64.24 -31.64 72.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.806 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.23 41.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.209 0.528 . . . . 0.0 110.419 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -42.96 99.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 14.8 p -61.63 -35.39 77.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1052 ' ' SER . 58.5 t -61.86 -51.66 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.419 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' 1159 ' ' LEU . 63.5 t -57.73 -41.4 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.643 ' O ' ' HG3' ' A' 1062 ' ' LYS . 74.3 mt-30 -57.51 -44.27 84.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -73.49 -28.06 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.164 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.4 mt -67.85 -47.96 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' 1159 ' ' LEU . 11.6 pt-20 -63.96 -40.56 96.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.21 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.643 ' HG3' ' O ' ' A' 1058 ' ' GLN . 28.2 mtpp -62.11 -36.23 81.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.406 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.453 ' O ' HG13 ' A' 1067 ' ' ILE . 21.8 t0 -64.66 -50.54 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.048 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.635 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.9 mt -65.98 -29.54 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.231 -175.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.1 mt-30 -64.07 -38.43 91.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.96 0.409 . . . . 0.0 110.416 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -71.45 -33.0 68.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.397 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1063 ' ' ASP . 68.8 mt -73.58 -32.02 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.795 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1064 ' ' LEU . 98.3 mttt -60.83 -40.0 91.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 109.761 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.54 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.232 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.15 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.191 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.15 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.007 0.432 . . . . 0.0 110.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -66.23 -38.19 87.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.817 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.97 -52.82 57.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.398 0.618 . . . . 0.0 109.95 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 120.17 11.58 6.78 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.949 -172.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -82.57 -68.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.629 0.252 . . . . 0.0 110.822 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' 1140 ' ' ALA . 11.1 mt 53.92 -168.5 0.06 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -125.78 83.33 62.67 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.507 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.69 -64.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 9.7 mp 58.64 85.78 0.18 Allowed Pre-proline 0 C--O 1.234 0.239 0 O-C-N 123.699 0.624 . . . . 0.0 111.172 -177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.83 124.9 14.6 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.021 2.48 . . . . 0.0 111.793 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 123.68 -30.36 4.91 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.65 117.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.008 0.433 . . . . 0.0 109.929 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.4 p -96.2 156.39 16.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.3 ttm -66.02 -38.19 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.074 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.33 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1086 ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' 1086 ' ' LYS . 1.2 tmtp? -70.03 -46.63 64.63 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1087 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' 1091 ' ' LEU . 65.0 m -65.38 -44.33 87.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.385 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 28.9 p -64.77 -37.74 88.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.47 -47.26 67.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.331 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.78 -44.42 96.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.776 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.3 OUTLIER -53.91 -54.17 42.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.871 177.55 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.11 95.22 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.087 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1093 ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 94.9 m-20 -64.88 -35.71 82.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.74 0.27 . . . . 0.0 111.384 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.583 ' O ' HG12 ' A' 1098 ' ' VAL . 50.3 m -75.3 -35.28 61.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.774 0.321 . . . . 0.0 110.173 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.69 HG23 HD13 ' A' 1196 ' ' LEU . 22.9 m -56.31 -56.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.459 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 57.5 pttt -63.6 -35.63 81.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.006 0.432 . . . . 0.0 110.649 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.44 -59.74 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.33 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 1094 ' ' SER . 6.0 p -68.14 -27.67 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.584 0.23 . . . . 0.0 110.986 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.8 t -65.49 -42.25 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 64.4 m -75.54 -25.83 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.087 0.47 . . . . 0.0 110.564 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.04 -43.39 67.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.21 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.476 ' HA ' HD12 ' A' 1105 ' ' LEU . 16.4 pt -65.87 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 178.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.47 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.047 0.451 . . . . 0.0 110.05 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -75.04 -29.75 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.514 HD13 HD22 ' A' 1165 ' ' LEU . 84.0 mt -64.38 -42.37 96.19 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.905 173.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.76 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.826 173.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 95.87 148.6 24.45 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.574 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -83.63 155.31 23.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.11 78.98 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.452 0.644 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 175.45 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.497 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -175.57 143.15 0.61 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.06 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -141.82 -37.41 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.235 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 65.0 t30 -84.37 149.6 25.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.916 0.358 . . . . 0.0 110.188 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 68.75 144.57 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.912 0.757 . . . . 0.0 111.409 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 65.6 t30 68.95 -63.33 0.37 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -61.16 -30.62 70.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.639 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.74 -51.81 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.231 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -77.6 -43.51 15.03 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.005 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.87 -50.34 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -69.38 -38.34 77.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.06 -37.81 88.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.423 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -64.8 -42.15 95.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.317 0.58 . . . . 0.0 110.316 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.41 -39.87 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.181 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.724 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.3 m -64.37 -44.25 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.457 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -60.46 -45.89 92.08 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.84 0.353 . . . . 0.0 110.562 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.95 99.77 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.155 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1127 ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' 1131 ' ' LEU . . . -63.12 -39.89 98.53 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.191 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' A' 1124 ' ' VAL . 71.7 mt -70.33 -29.37 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 -176.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1125 ' ' ALA . 25.5 mtm180 -62.2 -55.4 28.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.399 0.619 . . . . 0.0 110.04 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 16.5 m -65.38 -34.52 78.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.623 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' 1127 ' ' GLY . 0.5 OUTLIER -55.86 -48.97 74.57 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.587 175.358 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.635 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.33 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.068 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -52.16 -55.03 23.55 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.579 0.549 . . . . 0.0 112.113 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.79 79.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.14 83.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.287 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.2 mmp_? -67.64 -44.17 78.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.027 0.441 . . . . 0.0 109.879 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.531 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -59.82 -47.29 91.71 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.133 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.553 HG21 HD22 ' A' 1203 ' ' LEU . 55.0 t -51.95 -51.69 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.658 0.266 . . . . 0.0 111.276 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.426 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.34 -32.79 74.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.688 -177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.68 -26.48 54.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.419 -178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' 1137 ' ' GLY . 93.9 mt -83.94 -39.46 19.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.435 -177.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.616 HG23 ' HG2' ' A' 1148 ' ' GLN . 7.3 t -79.74 150.76 30.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.97 0.414 . . . . 0.0 110.537 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 20.1 m -109.57 8.34 25.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.716 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' 1148 ' ' GLN . 32.2 t70 -80.53 112.34 30.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.6 Cg_exo -74.95 67.45 5.89 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.894 2.396 . . . . 0.0 111.884 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.04 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.342 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' 1151 ' ' VAL . 33.9 m -69.23 -27.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.131 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.657 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.1 mt-30 -59.77 -52.95 63.27 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 120.754 0.311 . . . . 0.0 111.275 -178.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.86 69.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.183 0.515 . . . . 0.0 110.765 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' 1150 ' ' ILE . 1.4 mm -69.78 -43.86 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.771 -175.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' 1147 ' ' VAL . 3.0 p -66.11 -32.17 56.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.336 0.588 . . . . 0.0 110.868 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -74.79 -43.66 53.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.18 -46.26 87.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.483 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.613 ' O ' HG23 ' A' 1158 ' ' VAL . 8.7 p -58.76 -50.02 75.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.415 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1155 ' ' ALA . . . . . 0.485 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -57.91 -34.08 69.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 111.119 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.96 78.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.19 -32.92 74.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' 1154 ' ' THR . 29.6 t -57.97 -56.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.218 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1160 ' ' ASP . 4.4 pp -70.49 -29.47 66.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.918 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' 1159 ' ' LEU . 20.3 t70 -55.14 -49.47 71.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.057 0.456 . . . . 0.0 110.524 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.0 mptt -74.24 -30.95 62.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.53 -35.63 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 30.0 t -59.11 -51.86 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.064 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' 1168 ' ' GLU . 9.8 m -63.21 -34.49 77.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.345 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.621 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -62.86 -50.64 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' 1170 ' ' LYS . 7.1 mt-10 -69.42 -36.61 76.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.852 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' 1185 ' ' LEU . 7.7 tp10 -61.8 -46.97 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1169 ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' 1172 ' ' ALA . . . -68.05 -30.75 70.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1170 ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' 1167 ' ' GLU . 34.8 ttpt -58.52 -39.74 80.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.138 174.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -81.1 -24.01 38.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.502 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1172 ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' 1185 ' ' LEU . . . -77.0 -32.48 57.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.616 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.1 m -59.08 106.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 0.0 110.592 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 123.78 -8.48 8.72 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.16 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 39.9 m80 -92.11 113.45 59.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -92.99 31.03 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.25 2.633 . . . . 0.0 112.626 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 132.8 55.91 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.873 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.73 128.01 33.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.91 -52.13 8.71 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.252 2.634 . . . . 0.0 112.875 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' A' 1184 ' ' ARG . 34.8 mm-40 -64.84 -45.34 86.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.4 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1181 ' ' SER . . . . . 0.46 ' O ' HD23 ' A' 1185 ' ' LEU . 23.3 t -54.42 -49.55 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -176.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -59.89 -36.67 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -77.81 -41.65 36.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' 1180 ' ' GLU . 32.1 mmt180 -61.13 -49.54 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.415 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' 1172 ' ' ALA . 4.4 mm? -62.68 -46.77 86.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.31 85.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 111.558 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -66.64 -52.31 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.48 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.621 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.0 p -69.43 -32.57 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -64.55 -51.19 64.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.53 -22.59 61.0 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.409 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.91 95.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.758 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.495 HG21 HD12 ' A' 1165 ' ' LEU . 87.9 t -58.74 -44.55 90.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.699 173.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1193 ' ' THR . . . . . 0.616 ' HA ' ' HG ' ' A' 1196 ' ' LEU . 2.4 m -62.07 -43.73 98.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.511 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -63.44 -27.53 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.52 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -76.39 -49.04 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.69 HD13 HG23 ' A' 1095 ' ' THR . 4.3 pp -65.36 -41.9 93.35 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.548 0.689 . . . . 0.0 110.912 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.62 ' N ' HD12 ' A' 1196 ' ' LEU . 0.1 OUTLIER -64.24 -33.2 75.27 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.431 178.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -75.59 -29.5 59.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.159 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1199 ' ' CYS . . . . . 0.454 ' O ' ' HG ' ' A' 1203 ' ' LEU . 10.1 t -65.86 -43.73 87.55 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.19 0.519 . . . . 0.0 109.641 -173.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.659 HG12 HD12 ' A' 1091 ' ' LEU . 31.3 m -67.28 -31.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.343 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 53.7 m -77.38 -21.65 52.89 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.737 0.304 . . . . 0.0 111.578 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 77.3 m -83.2 -18.64 38.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.859 0.361 . . . . 0.0 110.757 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' 1091 ' ' LEU . 84.8 mt -66.05 140.27 96.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.122 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -57.11 103.04 0.12 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.571 2.181 . . . . 0.0 111.422 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -85.97 -4.06 84.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.624 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -100.38 22.09 12.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 111.266 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.557 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 69.2 mt 73.89 -53.98 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 123.512 0.725 . . . . 0.0 111.172 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 34.8 t70 61.1 95.92 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.813 0.445 . . . . 0.0 110.577 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.437 ' HA ' ' OG ' ' A' 1052 ' ' SER . 73.2 Cg_exo -48.62 114.31 1.16 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.068 2.512 . . . . 0.0 112.128 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 69.1 t80 -157.94 100.91 1.75 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.414 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1045 ' ' THR . . . . . 0.63 HG23 ' HB2' ' A' 1052 ' ' SER . 46.5 p -123.12 -33.85 3.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.47 0.652 . . . . 0.0 110.088 174.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 152.3 -99.87 0.2 Allowed Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.25 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -93.38 -1.72 3.36 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.07 2.513 . . . . 0.0 113.202 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 96.2 mt -118.14 109.31 16.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 111.859 -173.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 49.1 mm-40 -76.5 -39.38 53.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.2 mtt -54.93 -55.16 33.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.872 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -38.51 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.789 -173.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1052 ' ' SER . . . . . 0.63 ' HB2' HG23 ' A' 1045 ' ' THR . 6.8 t -77.49 -39.72 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.671 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' 1057 ' ' VAL . . . -63.53 -36.86 85.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 65.9 tp -54.51 -44.92 73.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.601 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 48.0 m -58.03 -39.91 79.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.707 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.2 t -64.07 -46.91 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1053 ' ' ALA . 30.0 t -64.6 -38.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.13 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.67 -28.8 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 0.0 111.406 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -75.97 -26.32 56.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.807 0.337 . . . . 0.0 110.574 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' 1064 ' ' LEU . 85.4 mt -70.85 -47.78 57.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.82 ' HB3' HD11 ' A' 1159 ' ' LEU . 5.2 pt-20 -59.43 -39.92 85.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.3 mttp -74.29 -26.1 59.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.88 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.81 -47.33 66.38 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.705 HD21 ' HB1' ' A' 1132 ' ' ALA . 30.7 mt -60.04 -32.03 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' 1061 ' ' GLU . 79.0 mt-30 -61.5 -38.42 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.299 . . . . 0.0 110.765 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.7 -48.25 64.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.144 0.497 . . . . 0.0 110.357 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.671 HG12 ' HD2' ' A' 1136 ' ' ARG . 2.0 mp -64.26 -33.9 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.476 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -64.69 -39.72 94.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 110.311 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.38 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.76 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.716 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' 1072 ' ' ARG . 9.9 tpt180 -59.35 -55.35 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.645 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.68 -30.63 65.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 101.0 39.81 3.01 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -120.86 19.04 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 1076 ' ' LEU . 36.4 mt -61.92 155.64 22.98 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -107.21 104.32 51.77 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.792 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.94 -7.08 12.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.047 1.831 . . . . 0.0 110.667 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.578 ' N ' ' HD2' ' A' 1080 ' ' PRO . 8.3 mp -51.67 -46.63 91.28 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 114.765 -1.107 . . . . 0.0 113.149 -177.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' 1079 ' ' LEU . 5.2 Cg_endo -48.63 -25.72 8.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.921 2.414 . . . . 0.0 113.305 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 69.36 50.84 30.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.23 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -84.56 169.38 14.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.7 p -122.28 130.13 52.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.698 0.285 . . . . 0.0 110.286 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.29 -34.78 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.21 -31.13 71.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1086 ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' 1086 ' ' LYS . 17.3 mmmt -79.18 -46.16 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.674 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 78.6 m -60.64 -41.11 94.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.712 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1088 ' ' THR . . . . . 0.414 HG22 HD13 ' A' 1203 ' ' LEU . 31.9 p -70.57 -41.44 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -31.81 73.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.665 HD23 HD11 ' A' 1203 ' ' LEU . 16.1 tp -62.62 -51.58 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -60.97 -39.72 97.42 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.458 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1093 ' ' ASN . . . . . 0.535 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.6 m-20 -66.07 -40.64 91.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.668 0.27 . . . . 0.0 110.978 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 21.2 m -67.4 -31.0 70.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.2 m -59.23 -50.65 73.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.702 175.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 49.0 mtmt -59.95 -39.6 86.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.83 42.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.754 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.477 HG21 HD21 ' A' 1128 ' ' LEU . 7.7 p -75.48 -23.2 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.672 0.272 . . . . 0.0 111.13 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 27.2 t -66.79 -39.05 87.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.765 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 9.2 p -75.04 -28.32 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.223 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.97 64.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.347 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.7 pt -64.05 -22.85 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.95 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.68 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.914 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 71.7 mmtt -77.04 -24.74 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.601 HD13 HD22 ' A' 1165 ' ' LEU . 70.0 mt -64.66 -24.31 67.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.1 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' 1106 ' ' LEU . 3.6 mm? -55.22 131.13 44.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.784 0.325 . . . . 0.0 110.312 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -75.23 67.93 2.1 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.63 -172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.35 118.18 24.51 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 110.151 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' 1114 ' ' GLU . 47.4 mm -96.88 129.7 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.808 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -118.12 125.26 49.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 14.7 mm100 61.04 23.04 13.25 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.545 0.528 . . . . 0.0 111.69 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 80.5 10.52 85.19 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.404 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.25 103.86 12.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.247 0.546 . . . . 0.0 110.398 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.581 ' HA ' HD12 ' A' 1109 ' ' ILE . 31.2 tt0 -98.84 -6.62 28.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.251 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -61.54 -20.71 63.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.044 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -51.38 -40.92 60.23 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.129 0.268 . . . . 0.0 111.707 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.82 75.79 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.997 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -71.11 -43.9 55.43 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.33 -43.24 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 111.176 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -64.82 -50.03 68.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.221 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.581 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.07 -31.01 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1122 ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' A' 1049 ' ' GLU . 8.2 tpt180 -70.47 -40.43 73.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.248 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.55 -36.2 44.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.72 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.5 m -59.14 -41.4 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.456 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -59.13 -41.16 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.637 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -68.76 -41.8 81.8 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.042 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.46 90.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.36 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.6 mt -66.92 -40.97 87.79 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -69.55 -26.89 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.584 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 13.3 m -79.3 -37.66 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.401 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -60.35 -53.23 60.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.825 178.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.9 -48.82 77.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.055 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -65.6 -37.92 88.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.567 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.1 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.581 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.73 97.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.085 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.671 ' HD2' HG12 ' A' 1067 ' ' ILE . 51.2 mtm180 -60.88 -37.67 82.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.602 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -62.23 -49.69 72.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.694 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 74.3 t -53.39 -46.15 57.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.077 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.12 -43.6 98.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.584 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.76 64.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' 1137 ' ' GLY . 53.3 mt -88.13 -29.51 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.065 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.509 HG21 HG23 ' A' 1147 ' ' VAL . 4.6 t -74.07 153.33 39.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 9.5 m -82.4 -46.48 13.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.172 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.68 117.09 38.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.963 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.57 65.59 8.9 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.443 2.096 . . . . 0.0 111.752 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -162.35 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.79 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.509 HG23 HG21 ' A' 1142 ' ' THR . 27.2 m -63.54 -22.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.021 171.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' 1152 ' ' LEU . 78.7 mt-30 -55.65 -47.05 77.31 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.459 173.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.18 66.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -67.93 -39.47 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.716 -176.005 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' 1147 ' ' VAL . 2.8 p -68.97 -35.87 71.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.099 0.476 . . . . 0.0 110.571 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' 1148 ' ' GLN . 39.7 mt -75.42 -42.19 54.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.44 -49.29 72.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.572 ' O ' HG23 ' A' 1158 ' ' VAL . 11.1 p -65.76 -40.58 92.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.42 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.07 0.462 . . . . 0.0 110.529 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 30.6 m -67.61 -42.48 82.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.237 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.35 -39.27 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.588 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 1154 ' ' THR . 91.9 t -56.23 -59.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.6 pp -67.88 -30.44 69.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -60.21 -48.94 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.973 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.6 mptt -71.52 -30.95 66.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1166 ' ' ILE . . . -66.59 -34.7 78.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.227 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' 1167 ' ' GLU . 50.1 m -63.24 -52.09 63.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.321 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.643 ' O ' ' HG2' ' A' 1168 ' ' GLU . 8.3 m -61.07 -38.29 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.262 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.844 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -54.56 -52.27 62.61 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 175.134 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' 1050 ' ' MET . 83.8 mt -60.99 -46.06 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.038 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1163 ' ' SER . 40.7 mt-10 -56.73 -59.07 5.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.36 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.69 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 13.6 pt-20 -72.87 -23.88 60.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.48 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.65 93.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.384 . . . . 0.0 110.276 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -63.15 -37.41 87.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.108 0.48 . . . . 0.0 109.996 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 57.3 mtmt -69.22 -38.9 78.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.173 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -70.9 -17.93 62.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.1 m -68.12 -27.02 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 109.741 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -84.64 -41.4 7.78 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.44 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 16.2 p80 -123.69 80.04 55.61 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.519 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.81 -29.99 14.82 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.655 2.237 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -88.94 58.03 4.02 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.878 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -132.08 120.61 17.33 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.27 -39.98 85.81 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.227 2.618 . . . . 0.0 112.885 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.51 -38.57 65.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 0.0 110.815 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1181 ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' 1185 ' ' LEU . 32.2 m -62.8 -49.73 73.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.3 -35.71 81.73 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.508 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -58.8 -50.3 74.47 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.238 0.542 . . . . 0.0 110.633 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.475 ' HB3' ' OE1' ' A' 1168 ' ' GLU . 13.7 mtp180 -68.16 -43.22 78.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.919 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 1181 ' ' SER . 85.6 mt -53.05 -42.23 65.58 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.05 0.453 . . . . 0.0 111.124 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.68 84.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.97 -38.63 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.65 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.844 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.9 p -71.82 -32.01 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.425 0.631 . . . . 0.0 109.892 174.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' 1193 ' ' THR . 43.9 mmtm -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.969 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.75 90.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.338 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 21.7 t -65.88 -38.24 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.301 0.572 . . . . 0.0 109.73 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1193 ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' 1190 ' ' LYS . 71.9 m -53.0 -49.1 66.89 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.465 177.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -76.03 -36.57 59.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.374 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.1 88.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.845 ' HB3' HG23 ' A' 1095 ' ' THR . 66.7 mt -57.82 -52.48 65.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.245 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -62.48 -38.21 88.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.692 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1198 ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' 1198 ' ' ARG . 37.1 ttm180 -66.84 -31.02 71.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.854 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -50.07 31.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -67.16 -22.08 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.737 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 33.1 t -75.64 -27.81 58.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.1 0.476 . . . . 0.0 110.55 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1202 ' ' CYS . . . . . 0.526 ' HB3' HG23 ' A' 1150 ' ' ILE . 79.7 m -84.91 -1.66 56.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.665 HD11 HD23 ' A' 1091 ' ' LEU . 91.2 mt -67.77 130.1 93.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.11 109.19 0.46 Allowed 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.684 2.256 . . . . 0.0 112.144 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -84.69 -27.0 36.45 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -89.79 114.61 26.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' 1207 ' ' ARG . 19.5 ptt85 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.261 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.165 -0.374 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 12.8 tt -128.67 -31.95 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.726 0.298 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.875 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 30.5 t70 -70.34 -55.77 7.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.262 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 36.3 Cg_endo -95.51 106.68 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 122.452 2.101 . . . . 0.0 110.895 170.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 39.5 t80 -86.23 73.87 10.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.099 0.952 . . . . 0.0 109.595 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 1.6 t -152.22 88.02 1.36 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.146 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -126.97 94.82 0.42 Allowed Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.518 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.68 155.22 43.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.901 2.401 . . . . 0.0 112.085 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.79 96.5 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -52.63 -47.05 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.531 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.3 mtt -72.03 -40.93 68.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.613 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -44.7 92.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.711 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1052 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1056 ' ' VAL . 49.2 m -71.67 -33.41 68.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.173 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.32 87.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.078 0.466 . . . . 0.0 110.199 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' 1057 ' ' VAL . 55.8 tp -64.61 -41.14 96.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.283 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 74.4 m -59.24 -42.37 90.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.429 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1052 ' ' SER . 97.5 t -60.66 -54.22 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.834 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' 1054 ' ' LEU . 9.9 p -64.78 -34.67 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.389 -175.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' 1062 ' ' LYS . 84.3 mt-30 -70.58 -28.14 64.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 111.55 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1059 ' ' ASN . . . . . 0.774 ' HA ' ' HE3' ' A' 1062 ' ' LYS . 22.5 m-80 -76.41 -36.61 57.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 173.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.7 mt -62.05 -45.77 92.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.217 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.818 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -62.85 -31.59 72.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.217 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.774 ' HE3' ' HA ' ' A' 1059 ' ' ASN . 9.0 mtmp? -62.1 -52.65 63.03 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' 1067 ' ' ILE . 1.5 m-20 -58.36 -46.75 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.538 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.746 HD21 ' HB1' ' A' 1132 ' ' ALA . 5.0 mt -61.99 -39.43 92.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.335 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.24 -40.85 98.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1066 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1062 ' ' LYS . 43.1 mt-10 -62.87 -41.52 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.417 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.806 HG21 ' HG3' ' A' 1136 ' ' ARG . 77.8 mt -67.67 -36.94 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.891 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.98 -46.32 91.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.23 83.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.433 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.1 -50.03 73.55 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.808 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -60.64 -45.25 94.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.76 -44.8 96.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.926 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.31 -22.58 57.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.07 30.33 8.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.069 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -115.73 15.66 16.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.91 0.386 . . . . 0.0 110.456 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.509 ' O ' ' HD3' ' A' 1078 ' ' PRO . 42.4 tp -71.12 146.45 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -74.9 107.32 3.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 123.084 0.24 . . . . 0.0 110.355 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' 1076 ' ' LEU . 79.0 Cg_endo -87.75 12.02 3.0 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.743 2.296 . . . . 0.0 112.907 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.501 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 7.7 mp -71.05 114.72 29.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.291 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 1.1 Cg_endo -82.95 115.48 2.38 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.957 2.438 . . . . 0.0 112.147 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -101.06 -88.21 2.01 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 172.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -79.07 155.19 28.9 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.6 p -74.25 168.59 19.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.574 0.226 . . . . 0.0 110.675 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.17 -30.61 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.97 -36.43 74.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.607 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -69.05 -45.33 70.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.188 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 69.7 m -66.51 -38.43 87.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.763 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1088 ' ' THR . . . . . 0.492 HG22 HD13 ' A' 1203 ' ' LEU . 30.7 p -67.65 -39.94 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.517 . . . . 0.0 110.45 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.52 -48.89 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.96 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.49 -36.62 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.536 HD22 HD21 ' A' 1203 ' ' LEU . 17.7 tp -60.86 -54.0 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.307 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.56 95.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.177 -0.535 . . . . 0.0 112.669 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1093 ' ' ASN . . . . . 0.461 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 30.4 m-80 -65.58 -45.13 84.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.0 m -65.06 -30.69 71.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.754 0.311 . . . . 0.0 110.642 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.852 HG23 ' HB3' ' A' 1196 ' ' LEU . 77.0 m -60.1 -55.91 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.809 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 64.6 pttt -67.83 -32.9 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -54.37 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.536 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.587 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.7 p -73.48 -23.05 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.7 t -67.05 -34.5 77.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.303 0.573 . . . . 0.0 109.84 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 42.9 m -74.16 -25.22 59.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 110.0 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.488 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -72.44 -49.31 34.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.817 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.9 pt -64.43 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 120.752 0.311 . . . . 0.0 110.581 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.18 95.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 53.3 mttp -75.66 -38.2 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.16 -28.34 68.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.541 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' 1185 ' ' LEU . 36.0 tp -66.59 103.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.845 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 116.79 -46.0 1.21 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.563 -0.827 . . . . 0.0 114.245 168.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 55.84 76.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.404 ' H ' HD13 ' A' 1109 ' ' ILE . 0.2 OUTLIER -126.94 -178.8 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -173.424 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 64.78 174.57 0.2 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.797 0.686 . . . . 0.0 111.777 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -84.86 118.58 24.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 107.42 23.29 7.0 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 3.9 p30 -64.19 -29.92 71.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.784 -0.208 . . . . 0.0 110.806 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.38 -31.31 70.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.294 0.569 . . . . 0.0 110.498 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -76.23 -53.33 8.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.078 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -61.02 -39.53 90.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.551 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.1 -49.92 19.69 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.7 -45.74 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.67 0.271 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.9 -41.82 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.684 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -67.4 -33.04 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.228 0.537 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -71.72 -33.13 68.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.213 0.53 . . . . 0.0 109.976 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1123 ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 29.6 t70 -78.26 -38.54 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.669 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.4 m -59.29 -38.32 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.434 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -61.07 -38.73 87.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.349 . . . . 0.0 110.77 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -74.47 -42.08 34.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.35 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1127 ' ' GLY . . . . . 0.473 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -62.35 -40.08 98.58 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.493 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' 1124 ' ' VAL . 82.6 mt -68.31 -29.81 68.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.623 0.249 . . . . 0.0 110.955 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1125 ' ' ALA . 63.0 mtt180 -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.2 0.524 . . . . 0.0 110.183 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 21.5 m -56.69 -41.5 77.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.392 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.461 HD22 HD12 ' A' 1091 ' ' LEU . 1.9 tm? -57.7 -49.17 77.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.746 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -62.72 -42.88 99.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.421 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 1129 ' ' ARG . 96.8 mt-30 -61.89 -44.28 97.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.311 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1134 ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' 1138 ' ' VAL . . . -63.57 -47.43 81.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.806 ' HG3' HG21 ' A' 1067 ' ' ILE . 4.6 mpt_? -66.51 -36.23 82.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.52 -41.27 96.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.881 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1134 ' ' ALA . 77.1 t -55.95 -45.91 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 0.0 111.351 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.54 90.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.8 69.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.98 0.419 . . . . 0.0 110.933 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.89 -37.74 84.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.05 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.468 HG21 HG23 ' A' 1147 ' ' VAL . 14.0 t -68.82 -38.34 79.8 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.438 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.6 m 61.27 13.24 4.72 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' 1148 ' ' GLN . 23.5 m-20 -94.39 116.78 66.8 Favored Pre-proline 0 C--O 1.233 0.215 0 O-C-N 122.167 -0.333 . . . . 0.0 110.201 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 8.6 Cg_exo -72.13 68.48 3.27 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 123.306 2.671 . . . . 0.0 112.298 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.37 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.141 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' 1151 ' ' VAL . 21.5 m -72.73 -22.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.153 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.708 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.75 -52.61 63.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.892 0.377 . . . . 0.0 110.204 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.8 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -44.84 40.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.766 -175.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -68.64 -31.27 50.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.459 0.647 . . . . 0.0 110.899 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 1148 ' ' GLN . 30.7 mt -78.23 -40.41 37.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.235 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -50.64 67.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.378 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' 1198 ' ' ARG . 21.4 p -60.28 -48.58 81.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.531 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.31 70.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 111.366 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 10.8 t -80.38 -25.96 38.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.048 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1157 ' ' ASP . . . . . 0.569 ' OD1' ' HE2' ' A' 1161 ' ' LYS . 37.9 t70 -71.83 -32.74 67.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1154 ' ' THR . 83.9 t -56.81 -60.58 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.898 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' 1061 ' ' GLU . 3.0 pp -66.09 -29.21 69.49 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.679 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.605 ' N ' HD12 ' A' 1159 ' ' LEU . 27.1 t70 -50.8 -53.12 34.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.021 0.439 . . . . 0.0 110.876 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.569 ' HE2' ' OD1' ' A' 1157 ' ' ASP . 3.2 mptp? -77.25 -29.01 53.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.369 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -63.64 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.574 0.226 . . . . 0.0 111.085 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' 1167 ' ' GLU . 39.3 m -58.22 -47.01 84.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 17.3 m -69.24 -28.83 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.908 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.7 tt -62.67 -46.73 86.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1162 ' ' ALA . 70.4 mt -67.76 -41.2 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.81 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' 1163 ' ' SER . 51.5 mt-10 -61.45 -49.21 77.72 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.522 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.44 ' HG3' HD22 ' A' 1185 ' ' LEU . 25.1 tp10 -58.17 -45.72 87.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.81 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1169 ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -64.35 -47.05 80.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.147 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.43 -34.63 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.433 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' 1171 ' ' LYS . 35.3 ttpt -74.49 -37.63 63.1 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.317 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1172 ' ' ALA . . . . . 0.77 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -60.72 -34.97 75.2 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.987 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 6.1 m -61.13 -22.32 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.868 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -100.49 14.46 59.31 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.512 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.77 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 60.3 m-70 -95.59 147.34 32.85 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -80.08 -1.7 11.56 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.645 2.23 . . . . 0.0 112.443 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 130.64 64.81 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.64 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.01 123.9 51.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.623 0.249 . . . . 0.0 110.678 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' 1183 ' ' GLN . 30.1 Cg_endo -64.98 -28.38 57.85 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.322 2.014 . . . . 0.0 111.103 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.467 ' HA ' ' OE1' ' A' 1183 ' ' GLN . 39.1 mt-10 -66.96 -29.79 69.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.984 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 57.9 m -64.24 -43.83 93.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.384 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -73.97 -23.61 59.51 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' 1187 ' ' GLN . 93.4 mt-30 -70.94 -54.17 12.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -55.21 -45.41 75.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.127 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.561 ' HB3' HD12 ' A' 1106 ' ' LEU . 0.8 OUTLIER -54.17 -44.67 71.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 177.195 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.52 80.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' 1183 ' ' GLN . 86.3 mt-30 -61.09 -49.64 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.908 HG13 ' HG ' ' A' 1165 ' ' LEU . 12.0 p -72.05 -33.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -62.84 -44.4 96.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.238 0.542 . . . . 0.0 110.018 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.492 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.95 88.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.51 HG21 HD12 ' A' 1165 ' ' LEU . 95.6 t -61.28 -38.82 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.0 110.31 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 28.6 m -59.93 -42.51 94.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.713 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.07 -33.26 67.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.276 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.27 90.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.832 0.348 . . . . 0.0 110.081 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.852 ' HB3' HG23 ' A' 1095 ' ' THR . 80.7 mt -59.45 -44.4 92.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.776 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.58 -37.73 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.819 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1198 ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' 1154 ' ' THR . 20.9 ttp180 -70.7 -25.09 62.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1199 ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' 1154 ' ' THR . 72.6 m -71.49 -49.38 41.78 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 109.892 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -71.84 -23.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.807 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 8.9 t -78.42 -32.42 48.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -83.76 -2.4 56.21 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.524 0.202 . . . . 0.0 111.534 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.536 HD21 HD22 ' A' 1091 ' ' LEU . 76.2 mt -57.84 124.82 70.98 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.619 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.37 164.62 33.64 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.931 2.421 . . . . 0.0 112.268 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . 175.58 42.62 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.516 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 23.3 tm0? 58.53 82.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 0.0 110.195 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.594 179.451 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 5.8 tp -99.44 91.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.03 0.919 . . . . 0.0 110.681 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.891 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 36.6 t70 -148.12 -57.77 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.109 176.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.891 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 22.2 Cg_endo -93.86 173.76 1.61 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.703 2.269 . . . . 0.0 110.713 170.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 39.9 p90 -88.64 17.24 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.221 0.534 . . . . 0.0 110.951 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -2.94 56.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.196 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -90.63 -69.75 1.21 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.657 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.7 147.78 92.46 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.706 2.271 . . . . 0.0 112.485 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.21 93.22 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.23 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.55 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.3 mtt -56.66 -40.55 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.9 175.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.06 -41.87 77.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -36.5 74.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' 1056 ' ' VAL . . . -66.46 -40.82 89.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 0.0 110.192 174.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.552 HD13 ' HB ' ' A' 1166 ' ' ILE . 51.0 tp -59.78 -33.88 72.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.672 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -61.93 -41.9 98.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.541 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' 1053 ' ' ALA . 6.1 m -72.38 -24.7 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1053 ' ' ALA . 63.0 t -71.6 -41.1 71.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.295 176.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.64 -28.58 69.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.414 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -76.36 -34.35 58.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 110.471 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.59 HD11 ' HG2' ' A' 1129 ' ' ARG . 96.2 mt -67.66 -44.77 77.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 10.4 pt-20 -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.99 -39.98 90.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.853 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' 1067 ' ' ILE . 31.2 m-20 -61.72 -46.62 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.462 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.71 HD12 HD21 ' A' 1159 ' ' LEU . 56.4 mt -65.78 -34.19 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.425 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' 1061 ' ' GLU . 99.3 mt-30 -62.61 -38.33 89.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.422 . . . . 0.0 110.756 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.22 -43.15 67.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' 1063 ' ' ASP . 82.5 mt -65.0 -33.3 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.425 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.529 ' HE3' ' HB2' ' A' 1153 ' ' ASP . 23.8 tptm -57.72 -48.51 79.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.455 177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.58 94.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -74.48 -27.79 60.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -66.48 -43.02 86.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.904 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.27 -36.16 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 109.9 11.76 19.99 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.939 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -79.68 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' 1139 ' ' ALA . 5.4 mt 57.96 -174.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.208 -0.905 . . . . 0.0 113.114 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -127.6 117.01 21.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.885 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.58 ' O ' ' HD3' ' A' 1080 ' ' PRO . 58.3 Cg_endo -74.34 32.7 0.35 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.785 2.324 . . . . 0.0 114.026 -174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.56 90.28 4.84 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.686 ' HA ' ' HA2' ' A' 1137 ' ' GLY . 73.5 Cg_endo -97.59 -172.21 0.16 Allowed 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 123.472 2.781 . . . . 0.0 113.429 -174.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -109.32 69.66 0.21 Allowed Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.517 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.61 -150.15 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.614 0.366 . . . . 0.0 110.361 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1083 ' ' THR . . . . . 0.556 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 1.2 p -71.22 150.62 45.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.633 0.254 . . . . 0.0 111.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1084 ' ' MET . . . . . 0.567 ' HB3' ' HD2' ' A' 1207 ' ' ARG . 47.2 ttm -56.4 -37.85 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.227 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.556 ' OE1' ' HB ' ' A' 1083 ' ' THR . 9.6 pm0 -62.62 -35.13 78.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.661 0.267 . . . . 0.0 110.715 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.13 -40.06 28.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.95 -40.03 96.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.644 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 19.5 p -72.42 -28.75 63.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 110.613 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.24 -47.51 61.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.61 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.04 -27.46 67.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.338 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.787 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.9 OUTLIER -57.6 -52.91 63.49 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.033 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.99 -40.59 99.49 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.447 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -60.8 -46.66 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.656 0.265 . . . . 0.0 110.787 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 16.9 m -63.26 -37.36 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 110.181 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1095 ' ' THR . . . . . 1.003 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.4 m -55.61 -53.56 55.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.789 175.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' 1092 ' ' GLY . 51.0 mtmt -66.34 -34.55 78.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.964 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.17 -55.26 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.514 HG21 HD21 ' A' 1128 ' ' LEU . 10.9 p -72.16 -24.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.617 -178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 42.6 t -63.87 -40.61 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 110.32 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1100 ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' 1104 ' ' LYS . 25.1 m -73.82 -25.71 60.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.135 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -75.02 -46.56 34.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.546 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.5 pt -64.7 -27.32 42.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.794 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.3 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.83 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1100 ' ' SER . 94.2 mttt -70.77 -32.75 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.524 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.38 -25.53 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.473 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.06 105.02 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.86 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 143.37 130.16 2.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.031 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.19 -21.51 36.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 40.0 mt 62.01 -96.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.765 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 176.34 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.148 0.499 . . . . 0.0 110.244 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.65 123.96 32.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 55.13 43.49 83.59 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.507 -0.769 . . . . 0.0 114.105 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -66.33 -28.4 68.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.296 0.548 . . . . 0.0 109.813 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.63 -23.12 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.155 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -80.4 -49.05 11.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 6.3 t80 -63.15 -44.59 95.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.4 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.526 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -59.35 -35.82 74.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.043 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.76 96.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.956 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.42 -37.87 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.19 70.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.323 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.55 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.86 -30.12 71.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.266 0.555 . . . . 0.0 110.831 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -75.37 -30.11 60.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.34 0.59 . . . . 0.0 109.985 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.09 -41.58 49.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.599 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.756 ' O ' ' HG ' ' A' 1128 ' ' LEU . 30.7 m -62.1 -42.95 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.765 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -59.85 -38.84 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.065 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.16 -43.45 98.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.999 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.15 -36.25 92.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.024 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' 1124 ' ' VAL . 42.5 mt -71.13 -36.75 72.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.59 ' HG2' HD11 ' A' 1060 ' ' LEU . 42.2 mtm180 -60.62 -53.34 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 0.0 110.491 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -60.56 -36.55 78.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.217 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -53.13 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1132 ' ' ALA . . . . . . . . . . . . . . . -58.22 -38.48 76.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.702 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.62 -46.23 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.85 66.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.61 -54.93 32.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1136 ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -68.17 -23.95 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' 1080 ' ' PRO . . . -65.01 -48.28 72.8 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.5 174.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.6 -44.24 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.567 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' 1076 ' ' LEU . . . -61.33 -43.76 98.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.476 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -68.98 -26.91 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.45 -39.3 38.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.552 HG21 HG23 ' A' 1147 ' ' VAL . 6.7 t -73.47 -43.97 59.02 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.435 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 16.6 t 57.28 29.94 17.62 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.296 0.57 . . . . 0.0 110.49 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' 1148 ' ' GLN . 19.1 t70 -109.48 113.7 57.96 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.41 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 15.0 Cg_exo -69.17 68.24 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 0.0 112.954 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.03 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.717 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.552 HG23 HG21 ' A' 1142 ' ' THR . 21.7 m -80.37 -22.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.589 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.644 ' HB3' ' HB1' ' A' 1071 ' ' ALA . 28.1 mt-30 -53.78 -56.15 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.19 0.519 . . . . 0.0 110.675 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.81 71.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.3 OUTLIER -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 -174.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.81 -34.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.086 0.47 . . . . 0.0 110.992 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.5 mt -77.4 -41.33 40.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.222 0.534 . . . . 0.0 110.48 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1153 ' ' ASP . . . . . 0.529 ' HB2' ' HE3' ' A' 1068 ' ' LYS . 15.6 t70 -55.9 -45.73 78.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.04 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.479 ' O ' HG23 ' A' 1158 ' ' VAL . 17.6 p -69.08 -42.93 75.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 28.0 t -68.94 -27.37 65.69 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.369 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.7 -35.2 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1154 ' ' THR . 94.6 t -55.01 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.902 177.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.71 HD21 HD12 ' A' 1064 ' ' LEU . 3.3 pp -67.44 -29.22 68.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.273 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' 1159 ' ' LEU . 28.2 t70 -55.8 -50.55 70.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.6 mptt -72.75 -33.44 66.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.367 178.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.44 -30.2 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 41.2 m -62.02 -52.05 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.005 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 15.7 m -65.92 -30.95 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.518 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.656 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.2 tt -59.11 -52.37 66.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.552 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.5 mt -67.07 -42.45 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.229 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.47 -44.3 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.87 -37.32 86.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.138 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.07 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.181 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.42 -35.59 77.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.173 0.511 . . . . 0.0 110.11 175.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.18 -40.73 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -59.82 -34.37 72.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.215 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 51.1 m -66.69 -16.05 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.617 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.03 2.71 64.02 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.903 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.459 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 68.7 m80 -101.02 121.35 52.52 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 4.5 Cg_exo -80.52 26.86 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.365 2.71 . . . . 0.0 112.51 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 121.12 74.35 0.36 Allowed Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.82 126.2 28.65 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.537 0.208 . . . . 0.0 110.733 -176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.501 ' O ' ' HG3' ' A' 1183 ' ' GLN . 35.0 Cg_endo -65.7 -46.24 5.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.942 2.428 . . . . 0.0 113.095 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' 1184 ' ' ARG . 44.3 mt-10 -71.81 -39.97 69.48 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.127 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 24.8 t -58.57 -46.18 87.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.112 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -70.38 -23.28 62.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.209 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' 1179 ' ' PRO . 98.5 mt-30 -77.71 -33.63 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' 1180 ' ' GLU . 26.0 mmm180 -65.44 -44.31 87.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.882 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.18 -46.13 75.81 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.984 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.63 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.215 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.02 -47.28 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -70.24 -33.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.054 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -65.86 -48.38 71.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -69.59 -22.12 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.709 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -66.28 -33.41 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 109.776 173.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.446 HG21 HD12 ' A' 1165 ' ' LEU . 46.2 t -69.21 -43.05 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.373 174.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1193 ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' 1196 ' ' LEU . 12.9 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.978 176.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1194 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' 1190 ' ' LYS . 82.7 mm-40 -62.66 -43.47 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.907 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.41 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.636 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1196 ' ' LEU . . . . . 1.003 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -58.44 -52.53 65.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.186 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 11.3 t30 -67.37 -33.48 75.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.114 0.483 . . . . 0.0 110.408 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -64.9 -30.49 71.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1199 ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' 1203 ' ' LEU . 18.2 t -73.49 -50.24 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' 1203 ' ' LEU . 30.1 m -68.43 -21.97 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 40.8 t -70.17 -45.27 67.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.461 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 28.7 p -77.2 -17.89 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.227 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' 1091 ' ' LEU . 52.3 mt -60.8 123.33 74.29 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.3 104.26 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -85.5 34.91 3.23 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -144.65 111.77 5.94 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.567 ' HD2' ' HB3' ' A' 1084 ' ' MET . 74.9 mtp180 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.83 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.31 81.52 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 122.183 0.992 . . . . 0.0 110.37 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.775 ' H ' ' HD2' ' A' 1043 ' ' PRO . 28.3 t70 -131.15 -50.3 0.03 OUTLIER Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.414 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.775 ' HD2' ' H ' ' A' 1042 ' ' ASP . 51.9 Cg_endo -72.41 107.73 2.35 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.516 1.478 . . . . 0.0 111.117 170.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -89.47 7.53 35.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.664 0.745 . . . . 0.0 110.407 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 41.0 p -90.99 -12.46 35.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.952 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 164.77 85.0 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.626 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.3 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.598 2.199 . . . . 0.0 111.745 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.0 mp 57.66 49.09 12.98 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.231 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.416 ' HA ' ' OG ' ' A' 1052 ' ' SER . 8.2 tp10 -60.81 -30.38 70.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 -176.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 47.3 mtt -66.69 -38.21 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.188 0.518 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.96 -39.53 72.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1052 ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' 1049 ' ' GLU . 3.1 p -71.07 -38.56 72.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.728 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.1 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.518 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.02 -38.05 87.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 32.6 t -63.34 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.921 0.391 . . . . 0.0 110.003 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' 1060 ' ' LEU . 76.1 t -62.46 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 46.8 t -64.5 -37.77 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.843 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 55.0 mt-30 -63.6 -28.12 69.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.161 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -75.59 -39.33 58.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.945 0.402 . . . . 0.0 110.231 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' 1129 ' ' ARG . 95.9 mt -62.75 -48.56 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.182 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.2 pt-20 -59.96 -35.64 75.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.567 ' HB3' ' NZ ' ' A' 1062 ' ' LYS . 9.2 mtpm? -69.89 -45.79 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.091 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.25 -48.21 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.872 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.5 mt -62.08 -35.55 78.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.872 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.95 -36.95 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 0.0 110.692 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.35 -31.06 62.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' 1063 ' ' ASP . 37.8 mt -72.43 -24.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.012 174.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' 1064 ' ' LEU . 58.1 mtpt -67.84 -39.94 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.907 0.384 . . . . 0.0 110.116 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.85 92.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.839 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.85 77.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.463 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.73 74.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.102 0.477 . . . . 0.0 111.102 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' 1072 ' ' ARG . 13.2 tpp180 -64.1 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.116 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -30.32 69.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.785 0.326 . . . . 0.0 111.44 -173.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.01 14.16 10.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.47 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -104.62 18.55 22.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.901 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' 1140 ' ' ALA . 0.5 OUTLIER -62.01 121.47 13.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 70.3 mmtt -67.72 110.1 4.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.423 -177.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.675 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 4.7 Cg_exo -75.37 -45.69 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.288 2.658 . . . . 0.0 111.339 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 45.6 mt 66.58 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.561 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -0.94 11.14 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.014 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.69 77.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.557 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -139.83 149.96 44.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.637 0.256 . . . . 0.0 110.54 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 1.6 p -106.48 -179.57 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.361 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1084 ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' 1141 ' ' LEU . 44.5 ttm -68.93 -41.21 78.41 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -22.28 66.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 -176.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.7 -54.9 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.849 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 72.1 m -66.61 -41.79 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.935 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.8 p -65.89 -39.81 90.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -72.17 -40.06 68.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.64 -34.03 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.026 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.559 HD12 HD22 ' A' 1131 ' ' LEU . 20.6 tp -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.82 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -65.11 -43.7 95.22 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.189 177.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -61.05 -43.52 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.868 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.594 ' O ' HG23 ' A' 1098 ' ' VAL . 19.5 m -61.5 -45.3 94.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.208 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1095 ' ' THR . . . . . 1.079 HG23 ' HB3' ' A' 1196 ' ' LEU . 52.9 m -51.6 -56.06 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -55.62 -42.55 75.08 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.342 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' 1094 ' ' SER . 21.8 t -68.45 -37.41 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.542 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.8 m -59.56 -41.24 89.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -70.53 -39.29 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 110.154 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.656 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -66.84 -47.8 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.939 -176.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.9 pt -63.79 -26.11 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.543 0.211 . . . . 0.0 111.316 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.7 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.127 0.489 . . . . 0.0 110.659 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.656 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 47.9 pttt -70.46 -24.04 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.08 -41.94 70.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 67.2 tp -67.86 -37.09 81.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.372 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 82.15 -71.35 2.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.37 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -172.9 -70.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 12.9 tt -153.05 -31.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -78.42 158.24 28.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.983 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.81 118.15 23.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -66.12 152.88 51.99 Favored Glycine 0 CA--C 1.518 0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.135 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1113 ' ' ASN . . . . . 0.404 ' HA ' ' HB2' ' A' 1117 ' ' ALA . 21.6 t-20 -153.42 -39.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.306 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.5 92.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.289 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 19.8 m120 68.16 -62.14 0.37 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.874 0.869 . . . . 0.0 112.854 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1116 ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' A' 1104 ' ' LYS . 26.0 m-85 -56.53 -27.93 58.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' 1113 ' ' ASN . . . -55.97 -46.93 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.28 -42.62 10.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.715 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.2 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.342 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' 1104 ' ' LYS . . . -69.54 -39.2 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.632 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.06 86.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.198 0.523 . . . . 0.0 110.565 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1122 ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' 1122 ' ' ARG . 21.1 ttt180 -75.86 -27.29 57.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.181 0.515 . . . . 0.0 110.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.4 -44.05 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' 1128 ' ' LEU . 11.7 m -63.58 -45.28 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.341 174.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.91 -44.12 73.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.683 0.277 . . . . 0.0 111.33 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.13 32.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -63.99 -35.83 92.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.813 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 1124 ' ' VAL . 94.5 mt -69.05 -25.39 64.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.899 -0.177 . . . . 0.0 111.199 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.741 ' HG2' HD21 ' A' 1060 ' ' LEU . 20.7 mtm180 -64.93 -48.75 73.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.564 175.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 24.3 m -62.85 -42.1 99.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.316 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.559 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -56.2 -51.9 66.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 178.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.872 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.11 -51.62 69.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.726 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.45 -41.63 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.588 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.65 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.003 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.232 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1132 ' ' ALA . 12.4 mmm180 -67.83 -37.75 82.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.239 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.448 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -44.02 97.38 Favored Glycine 0 C--O 1.227 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.14 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.402 ' HB ' HG21 ' A' 1151 ' ' VAL . 53.0 t -54.99 -45.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.67 0.271 . . . . 0.0 111.288 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.43 -28.0 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.449 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.675 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -77.21 -44.44 30.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1084 ' ' MET . 40.6 mt -64.4 -32.55 74.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.653 -176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.0 t -84.91 152.76 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 40.5 m -116.33 12.23 15.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.228 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.479 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 39.3 m-20 -89.97 107.52 19.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.135 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.8 Cg_exo -75.15 68.62 5.84 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.212 2.608 . . . . 0.0 112.556 -175.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -166.48 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.355 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1147 ' ' VAL . . . . . . . . . . . . . 35.1 m -69.62 -22.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.718 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.707 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.8 mt-30 -58.2 -47.82 82.27 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.707 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.83 65.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.792 0.329 . . . . 0.0 110.606 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' 1202 ' ' CYS . 0.4 OUTLIER -69.66 -40.03 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.589 -174.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.468 ' HA ' ' SG ' ' A' 1202 ' ' CYS . 2.7 p -70.39 -31.28 46.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.326 0.584 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 1148 ' ' GLN . 25.9 mt -78.06 -40.55 38.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.88 -45.76 82.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.391 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' 1198 ' ' ARG . 33.9 p -67.77 -39.78 84.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.154 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.21 94.48 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.468 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.5 t -63.38 -33.45 75.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.103 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1157 ' ' ASP . . . . . 0.411 ' O ' ' HD2' ' A' 1161 ' ' LYS . 35.8 t70 -72.08 -37.17 69.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.194 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1154 ' ' THR . 67.1 t -59.12 -56.31 17.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.7 pp -62.9 -31.46 72.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.854 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.433 ' N ' HD12 ' A' 1159 ' ' LEU . 12.7 t70 -53.55 -53.48 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.816 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.486 ' HG2' ' HB1' ' A' 1191 ' ' ALA . 7.9 mttp -77.52 -34.28 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.409 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.92 76.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.601 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' 1167 ' ' GLU . 19.8 m -64.93 -49.84 68.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.089 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.509 ' HB2' HG21 ' A' 1188 ' ' VAL . 14.8 m -58.25 -34.71 70.76 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.435 ' HA ' HG11 ' A' 1188 ' ' VAL . 61.9 tp -60.99 -51.73 68.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 0.0 110.704 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.92 -38.94 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.3 mt-10 -62.91 -44.41 96.16 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.057 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -59.53 -44.63 93.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.327 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.89 76.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.08 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.43 -44.45 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -70.75 -39.83 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.58 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.96 76.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 29.9 m -77.01 -10.14 59.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.714 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -101.99 -5.54 50.14 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.595 176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.489 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 27.7 m170 -100.85 123.28 46.04 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 5.2 Cg_exo -78.22 37.48 0.64 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.587 2.858 . . . . 0.0 112.442 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 111.48 94.51 2.23 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -138.74 134.05 16.98 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.638 0.256 . . . . 0.0 110.681 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.85 -37.97 90.97 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.168 2.579 . . . . 0.0 113.191 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' 1184 ' ' ARG . 12.4 mm-40 -70.67 -44.42 67.06 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.275 -0.17 . . . . 0.0 111.273 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1181 ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' 1185 ' ' LEU . 46.9 m -50.82 -49.48 58.55 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.257 0.348 . . . . 0.0 111.68 -177.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.406 ' H ' ' HG2' ' A' 1182 ' ' GLN . 14.0 pt20 -70.83 -34.52 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.985 -177.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -79.76 -38.59 32.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 0.0 111.089 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' 1180 ' ' GLU . 19.4 mmt180 -61.67 -42.69 99.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.464 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' 1181 ' ' SER . 95.9 mt -55.27 -46.41 76.15 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.516 0.51 . . . . 0.0 110.762 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.29 80.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.286 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -59.98 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' 1164 ' ' SER . 8.8 p -70.96 -26.53 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.53 99.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.958 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' 1193 ' ' THR . 34.2 mmtp -71.57 -29.19 64.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.332 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1191 ' ' ALA . . . . . 0.486 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -63.55 -46.23 86.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.647 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.509 ' O ' HD13 ' A' 1196 ' ' LEU . 60.2 t -62.06 -44.21 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1193 ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' 1190 ' ' LYS . 53.7 m -47.54 -47.13 28.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.456 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -78.41 -26.08 46.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.065 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.0 55.03 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1196 ' ' LEU . . . . . 1.079 ' HB3' HG23 ' A' 1095 ' ' THR . 0.3 OUTLIER -52.34 -52.61 52.3 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.91 172.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -66.42 -34.79 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.9 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1198 ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' 1154 ' ' THR . 39.4 ttm180 -65.27 -32.15 73.66 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.128 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.2 t -74.35 -47.39 34.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.265 0.555 . . . . 0.0 109.886 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 27.5 m -67.32 -27.15 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.06 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.3 t -77.7 -23.93 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.391 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1202 ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' 1150 ' ' ILE . 14.8 p -85.81 -4.78 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.656 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.503 HD11 HD23 ' A' 1091 ' ' LEU . 96.2 mt -62.95 137.99 97.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.846 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.72 111.28 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.82 2.347 . . . . 0.0 112.214 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -100.27 48.71 1.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -89.17 121.24 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.39 0.614 . . . . 0.0 110.806 -177.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' A' 1207 ' ' ARG . 3.3 mmp_? . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.118 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1041 ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' 1113 ' ' ASN . 8.7 tp -104.08 -33.38 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.702 0.286 . . . . 0.0 110.577 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.3 102.99 4.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 111.156 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.75 137.7 2.88 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.099 2.532 . . . . 0.0 111.588 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 45.6 p90 -96.06 18.39 13.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 110.538 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 17.5 p -93.34 -2.6 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.748 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 86.3 106.46 0.77 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.82 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1047 ' ' PRO . . . . . 0.552 ' HG2' ' CB ' ' A' 1117 ' ' ALA . 66.7 Cg_exo -54.87 137.51 75.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.299 2.666 . . . . 0.0 112.684 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.27 -13.96 62.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.635 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.405 ' OE2' ' HA3' ' A' 1118 ' ' GLY . 32.1 tt0 -66.98 -29.93 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.674 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 40.0 mtt -63.59 -37.03 85.78 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.094 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.93 -43.14 99.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 15.3 m -69.06 -43.29 74.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.947 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.11 77.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.819 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' 1166 ' ' ILE . 2.4 tm? -59.49 -45.9 90.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.045 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 63.8 m -58.62 -36.1 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.8 t -64.18 -44.71 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.379 . . . . 0.0 110.04 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.7 t -61.9 -39.6 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.267 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.511 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 77.0 mm-40 -58.59 -42.06 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -66.6 -34.4 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.073 0.463 . . . . 0.0 110.438 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' 1056 ' ' VAL . 98.4 mt -70.89 -46.66 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.706 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.8 pt-20 -63.81 -36.92 85.48 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.284 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1058 ' ' GLN . 29.5 mtpp -60.37 -36.25 77.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.17 0.294 . . . . 0.0 110.934 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -51.96 67.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 110.749 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.763 HD11 ' HB1' ' A' 1132 ' ' ALA . 7.5 mp -70.45 -21.84 62.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.604 -174.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' 1061 ' ' GLU . 29.7 mm-40 -67.77 -39.44 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -63.95 -53.04 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.491 175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.489 HG12 ' HD2' ' A' 1136 ' ' ARG . 1.8 mp -58.37 -37.23 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.267 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.348 . . . . 0.0 110.58 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.32 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.068 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.88 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -72.62 -27.89 62.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.8 -46.0 85.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.293 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.3 -18.82 44.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.65 37.47 5.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.859 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.36 -75.72 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' 1140 ' ' ALA . 39.4 mt 50.31 175.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.471 ' O ' ' HD2' ' A' 1080 ' ' PRO . 0.0 OUTLIER -139.62 115.63 8.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.45 176.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -81.78 9.43 3.93 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.349 2.033 . . . . 0.0 112.163 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 41.6 mt -76.9 -50.48 2.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.133 -176.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' 1077 ' ' LYS . 61.2 Cg_endo -73.18 16.37 0.45 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.133 1.889 . . . . 0.0 113.197 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -124.05 108.73 1.19 Allowed Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -80.98 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.9 0.857 . . . . 0.0 110.651 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 40.0 p -136.51 157.21 47.33 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 113.906 -1.497 . . . . 0.0 109.014 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 45.1 ttm -62.51 -32.4 73.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.822 0.344 . . . . 0.0 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1085 ' ' GLU . 1.8 mp0 -58.82 -47.47 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 176.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -46.31 83.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.304 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.7 m -61.6 -50.32 73.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.24 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1088 ' ' THR . . . . . 0.513 HG22 HD13 ' A' 1203 ' ' LEU . 25.5 p -64.05 -32.35 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.057 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.65 -51.41 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.779 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 46.8 t0 -64.09 -36.46 84.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.136 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.85 HD23 HD11 ' A' 1203 ' ' LEU . 19.3 tp -58.71 -53.05 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.189 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.93 -43.58 97.28 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.923 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -67.48 -37.36 82.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.584 0.23 . . . . 0.0 111.448 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 38.8 m -73.22 -29.74 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.722 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.1 m -58.21 -41.49 84.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.234 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.08 -29.66 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.915 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -76.06 -49.35 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.565 HG23 HG12 ' A' 1124 ' ' VAL . 4.0 p -74.7 -30.18 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.2 p -69.0 -37.21 78.57 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1100 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1104 ' ' LYS . 13.6 p -74.75 -27.9 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.363 0.601 . . . . 0.0 109.993 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.617 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -72.09 -43.24 65.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.546 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.4 pt -64.14 -29.65 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.734 0.302 . . . . 0.0 110.733 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 53.8 mtmt -76.04 -28.99 57.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.72 -37.06 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.235 0.54 . . . . 0.0 110.684 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 50.5 tp -75.36 91.22 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.098 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -155.33 120.19 0.99 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.08 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -102.07 94.14 5.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 65.4 mt 67.7 95.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.789 -174.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -157.86 -77.33 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.084 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 86.17 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.131 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -96.92 -46.48 2.44 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1113 ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' 1114 ' ' GLU . 17.1 t-20 65.51 -76.02 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 O-C-N 124.48 0.753 . . . . 0.0 112.2 173.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' 1113 ' ' ASN . 5.7 tp10 166.46 -51.79 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.601 ' O ' HG13 ' A' 1119 ' ' ILE . 24.2 t-20 -78.2 -48.18 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.7 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1116 ' ' TYR . . . . . 0.486 ' HA ' HD12 ' A' 1119 ' ' ILE . 48.0 m-85 -58.79 -46.02 88.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.599 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.552 ' CB ' ' HG2' ' A' 1047 ' ' PRO . . . -58.24 -39.88 80.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.676 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' 1049 ' ' GLU . . . -68.81 -35.77 80.62 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.191 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' 1115 ' ' ASN . 80.6 mt -55.55 -55.04 19.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.06 0.457 . . . . 0.0 110.659 177.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.73 77.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -71.83 -21.45 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.026 0.441 . . . . 0.0 110.736 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1122 ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' 1122 ' ' ARG . 21.7 ttp180 -79.13 -44.53 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.093 175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.69 -42.74 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.378 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' 1128 ' ' LEU . 16.8 m -62.64 -46.3 96.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.327 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.71 -49.84 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.6 0.238 . . . . 0.0 110.838 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.87 -41.94 99.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.408 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.76 96.49 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.314 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.5 mt -71.55 -25.93 62.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' 1125 ' ' ALA . 12.9 mtm180 -61.38 -56.29 21.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.422 0.629 . . . . 0.0 109.435 175.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.2 m -66.31 -33.63 76.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.469 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.531 HD22 HD12 ' A' 1091 ' ' LEU . 0.4 OUTLIER -54.23 -48.95 70.52 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 173.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.763 ' HB1' HD11 ' A' 1064 ' ' LEU . . . -62.52 -50.82 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.445 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' 1129 ' ' ARG . 50.3 mt-30 -57.98 -39.73 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.264 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -73.31 -44.05 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.365 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.298 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' 1067 ' ' ILE . 29.5 mtm180 -61.48 -35.35 77.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.003 0.43 . . . . 0.0 110.156 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -65.01 -51.33 52.06 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.163 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.489 ' HB ' HG21 ' A' 1151 ' ' VAL . 73.8 t -53.92 -45.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.026 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.8 92.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.491 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -71.56 -26.92 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.545 -177.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' 1137 ' ' GLY . 94.9 mt -80.18 -36.9 34.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.823 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.512 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -78.05 146.73 35.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.2 t -105.5 6.25 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.935 0.398 . . . . 0.0 110.425 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' 1148 ' ' GLN . 18.1 t70 -88.53 113.32 54.99 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -74.74 67.74 5.63 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.789 2.326 . . . . 0.0 111.707 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.72 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.572 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.512 HG23 HG21 ' A' 1142 ' ' THR . 29.0 m -69.62 -23.08 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.645 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.2 mt-30 -56.96 -42.83 80.86 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 121.144 0.497 . . . . 0.0 110.274 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.96 68.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.751 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -38.73 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.737 -174.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.489 HG21 ' HB ' ' A' 1138 ' ' VAL . 3.5 p -72.55 -37.08 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.9 mt -74.8 -44.21 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.95 -46.68 81.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.64 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.536 ' O ' HG23 ' A' 1158 ' ' VAL . 10.9 p -64.52 -45.27 87.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.692 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.5 t -66.28 -35.02 79.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.07 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.32 -35.58 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.391 . . . . 0.0 109.999 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 1154 ' ' THR . 89.2 t -59.06 -58.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 176.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' 1061 ' ' GLU . 3.2 pp -65.32 -30.68 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' 1159 ' ' LEU . 32.2 t70 -57.9 -49.69 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 176.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.7 mptt -77.22 -27.55 53.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.056 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -63.73 -47.17 82.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.01 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' 1167 ' ' GLU . 5.0 p -67.12 -45.74 76.27 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.03 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 68.9 m -57.26 -34.03 68.2 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.79 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -61.09 -51.88 67.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' 1054 ' ' LEU . 35.4 mt -67.19 -40.4 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.72 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1163 ' ' SER . 49.4 mt-10 -67.41 -45.88 74.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.51 -42.3 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1169 ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -61.23 -37.97 84.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -65.33 -36.77 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.101 0.477 . . . . 0.0 110.404 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.37 -43.48 50.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.913 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1172 ' ' ALA . . . . . 0.439 ' HB1' ' OG ' ' A' 1181 ' ' SER . . . -72.35 -30.56 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.71 -176.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 70.3 m -69.97 136.41 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 110.196 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 105.31 8.37 35.84 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -117.37 101.01 53.03 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 102.79 1.25 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.903 2.402 . . . . 0.0 112.632 -175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 78.55 58.44 3.08 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.893 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' 1179 ' ' PRO . 13.2 t70 -108.56 116.3 56.41 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 120.754 0.311 . . . . 0.0 110.726 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' A' 1183 ' ' GLN . 27.1 Cg_endo -63.45 -38.31 43.34 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.938 2.425 . . . . 0.0 112.301 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.9 -40.71 87.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.468 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1181 ' ' SER . . . . . 0.439 ' OG ' ' HB1' ' A' 1172 ' ' ALA . 47.0 t -50.18 -43.12 52.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.503 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -62.96 -50.9 68.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.921 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1179 ' ' PRO . 7.6 mm100 -68.44 -48.41 64.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.313 -173.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -62.12 -43.41 98.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.117 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' 1169 ' ' ALA . 2.4 mm? -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.948 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.8 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.16 -49.35 70.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.408 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.79 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -69.33 -36.81 73.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.346 -175.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -66.19 -40.09 90.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 177.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' 1193 ' ' THR . 17.7 tptm -67.98 -33.84 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.03 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.95 91.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.74 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.462 HG21 HD12 ' A' 1165 ' ' LEU . 49.1 t -62.25 -41.48 91.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.945 0.402 . . . . 0.0 109.991 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1193 ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' 1190 ' ' LYS . 62.8 m -51.19 -52.97 39.23 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.145 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -73.43 -37.8 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.595 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.56 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.722 ' HB3' HG23 ' A' 1095 ' ' THR . 76.4 mt -59.48 -52.61 64.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.125 177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.9 t30 -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 tpt180 -68.39 -34.63 76.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.2 t -68.58 -48.45 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.344 0.592 . . . . 0.0 109.532 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.431 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 24.5 m -69.25 -21.92 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.978 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 11.8 t -77.49 -29.87 52.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 84.5 m -86.11 -1.53 57.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.397 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.85 HD11 HD23 ' A' 1091 ' ' LEU . 62.7 mt -65.2 122.6 80.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 111.418 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1204 ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 68.8 Cg_endo -85.9 108.05 0.95 Allowed 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.86 2.373 . . . . 0.0 111.687 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -80.1 73.24 2.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.468 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -79.32 111.54 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.009 0.433 . . . . 0.0 111.264 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.015 174.389 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1041 ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' 1047 ' ' PRO . 4.1 mp -76.07 95.28 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.416 ' N ' ' HD2' ' A' 1043 ' ' PRO . 9.7 m-20 -67.92 -48.9 38.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -175.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' 1042 ' ' ASP . 67.2 Cg_endo -73.62 39.83 0.51 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.073 1.849 . . . . 0.0 112.976 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1044 ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' 1042 ' ' ASP . 44.7 t80 -134.77 -4.29 2.53 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.905 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 73.3 p 48.65 40.6 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.652 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 131.9 72.62 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.683 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1047 ' ' PRO . . . . . 0.609 ' HB3' ' HB ' ' A' 1041 ' ' ILE . 74.5 Cg_endo -75.15 146.25 31.91 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.419 2.079 . . . . 0.0 111.651 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1048 ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' A' 1051 ' ' ASP . 89.3 mt 59.46 61.5 2.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.226 0.536 . . . . 0.0 109.803 -177.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 1.8 mp0 -51.05 -57.91 7.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.601 -174.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 58.2 mtt -72.82 -31.98 65.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.538 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1051 ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' 1048 ' ' LEU . 38.7 t70 -73.69 -37.21 65.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.683 0.278 . . . . 0.0 110.94 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.7 m -71.4 -29.68 65.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 0.0 110.166 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.78 69.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.942 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' 1166 ' ' ILE . 59.4 tp -64.79 -42.63 94.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.126 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 10.4 p -61.56 -31.91 71.97 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.642 0.258 . . . . 0.0 110.752 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.542 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.1 t -62.4 -46.34 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1060 ' ' LEU . 44.1 t -65.5 -36.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1054 ' ' LEU . 34.4 mm-40 -61.94 -32.89 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.13 -27.56 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.632 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.634 HD21 ' HG2' ' A' 1129 ' ' ARG . 98.3 mt -67.75 -45.73 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.677 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.1 pt-20 -64.36 -41.97 96.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.633 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.54 -28.38 67.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -52.33 55.23 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.745 HD21 ' HB1' ' A' 1132 ' ' ALA . 25.0 mt -67.74 -28.75 67.9 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.826 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' 1061 ' ' GLU . 14.8 mm100 -62.18 -29.5 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.751 176.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.66 -37.94 65.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.063 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.635 HG22 HD13 ' A' 1152 ' ' LEU . 2.1 mp -67.48 -38.79 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.87 -50.68 72.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.07 86.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1070 ' ' ALA . . . . . 0.478 ' HB1' ' H ' ' A' 1076 ' ' LEU . . . -61.7 -44.92 96.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.388 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.465 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -67.69 -35.56 79.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.477 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -64.12 -40.45 96.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.111 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -76.03 -38.34 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 107.8 36.15 2.45 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -173.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -104.54 -68.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.435 . . . . 0.0 110.798 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.478 ' H ' ' HB1' ' A' 1070 ' ' ALA . 14.0 mt 51.05 -178.18 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.216 1.006 . . . . 0.0 113.58 -176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -136.59 99.13 10.65 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.576 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.503 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 12.0 Cg_exo -69.66 -72.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.577 2.184 . . . . 0.0 111.91 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.8 mp 50.23 86.23 0.16 Allowed Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.755 0.659 . . . . 0.0 111.061 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.41 138.21 47.32 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.396 2.731 . . . . 0.0 113.001 -175.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 163.27 -49.61 0.31 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -98.82 129.31 45.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 66.8 p -90.42 169.82 10.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.8 tpp -58.44 -44.17 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -44.3 97.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -57.79 -54.44 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.569 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 71.6 m -65.3 -44.66 87.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.6 p -64.11 -36.13 83.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 110.966 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -68.15 -49.51 60.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.29 -33.23 74.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' 1203 ' ' LEU . 0.3 OUTLIER -57.3 -54.08 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.277 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.527 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -65.54 -27.48 72.62 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.504 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -78.22 -40.87 36.09 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.542 -0.387 . . . . 0.0 111.065 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.449 ' O ' HG12 ' A' 1098 ' ' VAL . 20.1 m -63.57 -34.43 77.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.0 m -55.51 -49.04 73.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.165 172.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' 1092 ' ' GLY . 55.6 mttp -62.03 -44.58 96.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.02 -61.66 2.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.531 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' 1094 ' ' SER . 7.7 p -67.78 -26.48 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.595 0.236 . . . . 0.0 111.043 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.7 t -67.42 -37.98 83.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.986 0.422 . . . . 0.0 110.161 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1100 ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' 1104 ' ' LYS . 23.1 t -69.9 -35.81 74.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.563 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -65.85 -49.29 68.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.665 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' 1106 ' ' LEU . 36.0 pt -62.96 -23.73 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.604 0.24 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.96 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.573 . . . . 0.0 109.955 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.525 ' HE3' ' CE1' ' A' 1116 ' ' TYR . 26.1 mmmt -76.39 -24.03 54.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.119 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' 1102 ' ' ILE . 2.7 tm? -78.94 -51.47 9.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.772 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' 1185 ' ' LEU . 3.4 mm? -81.79 -5.52 58.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -176.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -137.84 176.05 20.9 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.697 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 64.38 21.38 12.47 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.144 0.578 . . . . 0.0 112.218 174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.527 HG22 ' HG3' ' A' 1114 ' ' GLU . 51.0 mm 65.97 102.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 112.116 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -125.35 20.73 8.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.158 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.34 98.54 10.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.671 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 100.72 -166.6 19.45 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.33 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -76.67 45.94 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.006 0.432 . . . . 0.0 111.582 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.527 ' HG3' HG22 ' A' 1109 ' ' ILE . 22.8 mm-40 -69.71 -73.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -179.41 -55.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.068 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1116 ' ' TYR . . . . . 0.525 ' CE1' ' HE3' ' A' 1104 ' ' LYS . 41.6 m-85 -67.55 -26.84 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.78 -177.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -51.26 -48.63 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.322 0.389 . . . . 0.0 111.345 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -79.59 -49.63 6.06 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.111 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.7 -54.95 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.415 ' HB3' HD23 ' A' 1105 ' ' LEU . . . -70.27 -37.11 74.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -173.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.45 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.321 0.581 . . . . 0.0 110.312 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -72.08 -35.74 69.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.213 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1123 ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.3 t70 -73.5 -41.3 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.251 -177.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1124 ' ' VAL . . . . . . . . . . . . . 24.4 m -58.23 -38.72 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -63.97 -43.17 96.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.4 96.0 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.319 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.16 -44.42 97.4 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.814 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' 1162 ' ' ALA . 2.4 mp -62.58 -37.63 86.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' 1125 ' ' ALA . 54.7 mtp180 -60.72 -55.46 32.88 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.264 0.554 . . . . 0.0 110.003 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 5.1 m -59.89 -37.66 80.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.628 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -56.19 25.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.821 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.745 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.28 -46.38 88.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.925 -177.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.67 -39.74 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.224 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1134 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1138 ' ' VAL . . . -68.57 -40.56 80.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.77 0.319 . . . . 0.0 110.742 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.42 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -62.09 -48.31 80.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.676 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' 1067 ' ' ILE . 35.7 ptt180 -70.48 -23.51 62.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.462 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.1 -47.59 58.42 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 171.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1134 ' ' ALA . 56.8 t -51.47 -50.65 28.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.424 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -62.39 -33.4 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.975 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.503 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -76.19 -26.34 56.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 111.017 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 1137 ' ' GLY . 73.6 mt -86.98 -38.6 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.272 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.511 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.1 t -75.61 150.05 38.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.132 0.491 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 35.7 t -118.01 12.01 13.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.662 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.34 110.61 37.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.65 68.79 3.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.19 2.594 . . . . 0.0 112.754 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.07 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.154 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' 1151 ' ' VAL . 27.5 m -71.93 -25.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.219 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.557 ' O ' ' HG ' ' A' 1152 ' ' LEU . 85.4 mt-30 -57.89 -55.82 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.197 0.522 . . . . 0.0 110.802 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.24 67.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.3 OUTLIER -74.21 -39.6 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.89 -175.503 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' 1147 ' ' VAL . 5.3 p -65.94 -36.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.158 0.504 . . . . 0.0 110.686 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.635 HD13 HG22 ' A' 1067 ' ' ILE . 30.9 mt -73.42 -44.52 58.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.317 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.939 -178.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.452 ' O ' HG23 ' A' 1158 ' ' VAL . 21.3 p -63.41 -43.53 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.201 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.08 79.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.181 0.515 . . . . 0.0 110.92 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 33.6 m -71.49 -36.47 71.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.818 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD3' ' A' 1161 ' ' LYS . 26.5 t70 -63.75 -33.07 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.43 . . . . 0.0 110.012 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1154 ' ' THR . 98.7 t -58.04 -56.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.539 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -68.23 -30.94 70.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' 1159 ' ' LEU . 13.7 m-20 -58.32 -52.9 63.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.143 0.497 . . . . 0.0 110.567 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' 1157 ' ' ASP . 0.5 OUTLIER -65.54 -40.27 92.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.494 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' 1128 ' ' LEU . . . -64.24 -35.3 80.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.569 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' 1167 ' ' GLU . 65.0 m -63.57 -44.96 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.9 t -66.46 -32.03 73.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.106 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.554 HD11 HD21 ' A' 1106 ' ' LEU . 57.8 tp -59.32 -49.42 77.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.136 173.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' 1054 ' ' LEU . 91.7 mt -66.34 -41.41 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' 1163 ' ' SER . 46.2 mt-10 -60.72 -50.88 71.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -56.83 -46.32 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.612 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.34 90.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.408 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -60.55 -41.08 93.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.065 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -77.7 -39.75 43.66 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.674 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.76 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 22.5 m -62.99 -26.12 68.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.325 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -93.8 4.65 72.31 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -98.7 123.89 48.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.531 0.205 . . . . 0.0 111.488 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.64 -15.84 21.49 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.308 2.005 . . . . 0.0 110.664 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -132.85 101.7 0.45 Allowed Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.429 ' N ' ' CD ' ' A' 1179 ' ' PRO . 6.2 p30 -122.89 32.61 0.21 Allowed Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' 1183 ' ' GLN . 30.8 Cg_endo -63.52 -49.24 4.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 CA-C-N 121.018 1.399 . . . . 0.0 111.824 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -74.53 -32.5 62.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.114 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 5.2 t -64.07 -46.62 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.628 ' HA ' HD12 ' A' 1185 ' ' LEU . 79.4 mt-30 -69.83 -22.9 63.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.475 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1187 ' ' GLN . 68.5 mm-40 -64.46 -41.53 96.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -66.34 -40.42 89.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.437 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' 1182 ' ' GLN . 88.6 mt -54.59 -50.42 68.05 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.869 176.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.9 mt-30 -63.55 -53.19 55.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.918 0.389 . . . . 0.0 111.209 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' 1192 ' ' VAL . 7.6 p -69.27 -29.19 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.41 -172.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.425 ' HB2' ' HG ' ' A' 1106 ' ' LEU . . . -60.66 -43.91 97.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.155 0.503 . . . . 0.0 110.342 175.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 59.8 mttp -72.09 -30.42 65.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.46 96.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1188 ' ' VAL . 61.9 t -61.97 -43.05 97.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.138 0.495 . . . . 0.0 110.003 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 -38.49 87.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.994 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.75 -39.92 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.311 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.74 82.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.266 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.761 ' HB3' HG23 ' A' 1095 ' ' THR . 86.7 mt -58.34 -49.49 77.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.356 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.459 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.8 t30 -62.6 -37.81 87.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.962 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.07 -38.56 89.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.529 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.6 t -72.3 -47.3 51.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.623 HG12 HD12 ' A' 1091 ' ' LEU . 32.7 m -67.85 -21.91 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.458 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 26.3 t -76.85 -31.2 56.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.026 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1202 ' ' CYS . . . . . 0.414 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 82.8 m -86.2 -12.95 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' 1091 ' ' LEU . 77.5 mt -58.19 125.25 74.22 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -69.03 88.32 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.455 2.103 . . . . 0.0 112.146 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -99.5 2.38 57.43 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -75.39 101.34 4.74 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.162 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' 1207 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.16 174.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 41.4 pt -85.65 -27.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.631 ' H ' ' HD2' ' A' 1043 ' ' PRO . 36.0 t70 -108.82 -57.07 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.462 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.631 ' HD2' ' H ' ' A' 1042 ' ' ASP . 38.2 Cg_endo -67.39 129.96 21.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.587 1.525 . . . . 0.0 111.456 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 62.3 t80 -122.42 84.12 2.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.425 0.631 . . . . 0.0 109.502 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 43.3 p -104.22 9.28 36.17 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.373 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 95.96 93.95 1.78 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.502 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.46 -0.85 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.926 2.418 . . . . 0.0 112.268 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.8 mp 62.22 89.44 0.08 Allowed 'General case' 0 C--O 1.233 0.237 0 O-C-N 123.746 0.654 . . . . 0.0 111.63 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.9 -37.9 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.555 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.9 mtt -58.34 -49.52 76.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.332 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -34.87 74.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.415 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.8 m -63.54 -41.11 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -65.47 -43.8 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.324 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.544 ' HB2' HG21 ' A' 1166 ' ' ILE . 46.1 tp -54.62 -34.67 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.77 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 28.5 t -60.42 -50.37 73.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.63 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.0 m -69.89 -30.87 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.673 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' 1060 ' ' LEU . 88.8 t -65.39 -40.94 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.0 110.307 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' 1061 ' ' GLU . 55.8 mt-30 -65.17 -36.26 83.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -65.62 -30.5 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.465 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.724 HD21 ' HG2' ' A' 1129 ' ' ARG . 93.8 mt -72.74 -50.71 22.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 0.0 OUTLIER -61.82 -38.99 90.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.94 -177.201 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.95 -34.01 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.484 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' 1067 ' ' ILE . 31.6 t70 -61.22 -47.68 84.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.373 0.606 . . . . 0.0 109.649 174.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.0 mt -68.11 -27.02 66.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.847 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1061 ' ' GLU . 15.5 mm100 -63.51 -41.46 98.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.444 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.05 -44.06 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 110.558 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' 1063 ' ' ASP . 39.5 mt -64.55 -32.76 59.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 110.336 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.73 -41.16 98.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.997 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.34 95.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.149 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.88 99.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.97 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.958 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.99 94.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.276 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.81 -46.32 18.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.16 40.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.628 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -117.86 15.17 14.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.564 ' O ' ' HD3' ' A' 1078 ' ' PRO . 67.4 mt -63.07 147.99 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.221 176.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -97.43 100.62 8.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.383 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' 1076 ' ' LEU . 93.0 Cg_endo -83.71 -17.74 5.94 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.623 2.215 . . . . 0.0 112.997 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.517 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 11.1 mp -66.1 -51.94 42.43 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.189 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 95.4 Cg_endo -91.8 -166.15 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.232 1.954 . . . . 0.0 111.749 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 102.63 14.31 27.81 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.638 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.13 -170.97 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 11.2 p -88.11 156.18 19.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 0.0 111.209 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 40.9 ttm -64.49 -43.47 94.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.782 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.18 -37.81 86.52 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.701 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.42 -53.71 55.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1087 ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' 1091 ' ' LEU . 69.3 m -60.65 -46.57 89.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.49 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 13.2 p -67.67 -42.18 82.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -71.84 -48.79 43.72 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.665 0.269 . . . . 0.0 111.243 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -24.55 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.437 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.845 HD23 HD11 ' A' 1203 ' ' LEU . 14.8 tp -59.6 -40.94 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.343 0.592 . . . . 0.0 109.428 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -66.94 -32.27 80.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.757 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -67.87 -40.28 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.1 m -65.96 -37.73 86.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.871 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' 1196 ' ' LEU . 96.9 m -56.44 -43.56 79.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.634 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' 1092 ' ' GLY . 28.0 mtpp -58.67 -40.97 85.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.926 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.08 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1098 ' ' VAL . . . . . . . . . . . . . 61.5 t -63.67 -45.39 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.719 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 23.0 t -60.79 -34.09 73.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.902 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 47.3 m -75.2 -42.73 55.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.48 90.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.428 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.545 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.1 pt -64.5 -23.19 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.997 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -75.17 -36.4 61.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -73.88 -27.26 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.627 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 1102 ' ' ILE . 95.2 mt -64.41 -25.69 68.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.954 0.407 . . . . 0.0 110.192 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1102 ' ' ILE . 84.2 mt -81.0 4.74 18.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 177.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -92.81 111.11 4.03 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.955 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1108 ' ' GLU . . . . . 0.508 ' HB3' ' HG3' ' A' 1111 ' ' GLN . 3.3 tm-20 -73.39 150.5 41.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' 1114 ' ' GLU . 73.7 mt -52.3 -48.59 44.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -74.45 0.58 14.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1111 ' ' GLN . . . . . 0.508 ' HG3' ' HB3' ' A' 1108 ' ' GLU . 45.5 mt-30 -91.72 -17.21 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 110.627 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -168.29 -91.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.583 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -134.9 135.73 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.588 0.232 . . . . 0.0 110.637 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.447 ' HB3' HG23 ' A' 1109 ' ' ILE . 8.8 pt-20 -59.08 -28.13 66.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.185 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -63.51 -20.14 65.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.576 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -57.02 -32.01 65.71 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.643 0.259 . . . . 0.0 110.831 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -59.65 -46.76 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.851 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.47 -37.51 20.39 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.584 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.33 -53.29 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.28 71.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.198 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.96 71.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1122 ' ' ARG . . . . . 0.489 ' C ' ' HD3' ' A' 1122 ' ' ARG . 1.7 tmt_? -69.37 -40.37 77.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.083 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.73 -41.0 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.605 ' O ' HD22 ' A' 1128 ' ' LEU . 12.6 m -67.79 -39.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.472 175.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -55.89 -48.08 76.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1126 ' ' GLY . . . . . 0.424 ' HA2' ' HE ' ' A' 1129 ' ' ARG . . . -71.86 -35.55 61.7 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.792 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.4 -51.17 60.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.558 -0.353 . . . . 0.0 112.979 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' 1124 ' ' VAL . 0.3 OUTLIER -65.0 -26.37 68.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.133 0.466 . . . . 0.0 111.619 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.724 ' HG2' HD21 ' A' 1060 ' ' LEU . 46.1 mtm180 -64.9 -53.13 51.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.279 0.561 . . . . 0.0 109.709 175.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.0 m -60.21 -40.9 91.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.691 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.598 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -58.0 -51.02 71.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.831 177.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.96 -55.17 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.122 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.573 ' HG3' ' N ' ' A' 1134 ' ' ALA . 13.3 pt20 -59.35 -45.12 92.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 111.751 -172.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1134 ' ' ALA . . . . . 0.573 ' N ' ' HG3' ' A' 1133 ' ' GLN . . . -66.45 -41.24 89.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.455 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.939 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1132 ' ' ALA . 11.8 mmm180 -70.98 -35.77 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.369 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.81 -39.0 96.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.974 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 73.8 t -55.45 -48.66 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.972 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.92 65.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.16 55.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.81 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1137 ' ' GLY . 92.7 mt -70.68 -41.0 72.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.787 -176.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.0 t -77.77 145.96 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.8 m -115.23 23.45 12.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' 1148 ' ' GLN . 13.0 m-20 -104.59 113.09 65.34 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.479 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.5 Cg_exo -72.07 67.37 3.32 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.3 2.667 . . . . 0.0 112.45 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.22 -57.21 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.037 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1151 ' ' VAL . 30.8 m -66.97 -28.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.326 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.671 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.97 -44.93 78.99 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 121.272 0.558 . . . . 0.0 110.453 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.48 -37.42 63.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.546 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -39.43 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.673 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -70.98 -35.22 58.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.038 0.447 . . . . 0.0 110.971 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.8 mt -78.24 -42.19 31.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 0.0 110.203 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.3 -45.01 84.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.839 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.545 ' O ' HG23 ' A' 1158 ' ' VAL . 19.3 p -69.56 -39.87 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.277 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.62 88.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.233 0.54 . . . . 0.0 110.44 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 15.0 m -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.22 -40.37 86.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1154 ' ' THR . 90.8 t -57.79 -56.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -65.36 -30.36 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' 1159 ' ' LEU . 33.7 t70 -57.06 -49.94 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.107 0.479 . . . . 0.0 110.37 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.2 mptt -77.25 -32.41 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.672 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -65.13 -37.58 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.356 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 32.1 m -64.23 -45.06 89.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.272 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 1168 ' ' GLU . 51.7 m -73.17 -18.6 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.496 HD21 HG22 ' A' 1102 ' ' ILE . 31.5 tp -68.25 -45.3 73.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 171.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' 1054 ' ' LEU . 59.8 mt -66.78 -48.91 78.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.292 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' 1170 ' ' LYS . 4.2 mm-40 -63.6 -28.72 70.12 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 176.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.2 tp10 -60.41 -51.13 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.75 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.053 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1170 ' ' LYS . . . . . 0.487 ' HG3' ' HA ' ' A' 1167 ' ' GLU . 6.1 mmmm -50.79 -47.37 59.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.454 . . . . 0.0 110.415 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' A' 1175 ' ' HIS . 45.8 mttp -76.61 -50.63 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.587 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.15 67.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.816 -173.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 21.7 p -68.74 -9.62 51.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -104.9 12.19 49.49 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.5 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 87.8 m-70 -123.73 77.92 56.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.395 0.14 . . . . 0.0 110.685 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.2 -14.38 9.58 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.216 1.944 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -115.68 13.72 17.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.709 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 9.9 m-20 -106.21 115.75 60.54 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.625 ' O ' ' HG2' ' A' 1182 ' ' GLN . 37.8 Cg_endo -67.14 -27.07 42.1 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.41 2.074 . . . . 0.0 111.526 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' 1184 ' ' ARG . 10.8 mm-40 -71.12 -19.17 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.161 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 21.8 t -60.28 -40.97 92.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.715 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' 1179 ' ' PRO . 13.8 pt20 -66.73 -33.28 75.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -69.57 -38.82 77.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 110.369 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' 1180 ' ' GLU . 18.9 mtp180 -56.96 -52.03 66.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.792 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.37 -47.71 75.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.601 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.51 90.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.53 63.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.06 -175.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1188 ' ' VAL . . . . . . . . . . . . . 14.5 p -77.13 -32.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.05 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.166 0.508 . . . . 0.0 109.963 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.7 ttpp -66.36 -40.07 89.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.853 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.07 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 99.3 t -63.33 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.289 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 46.0 m -57.92 -47.0 84.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.08 -35.25 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.099 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.515 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' 1095 ' ' THR . 91.3 mt -58.1 -52.38 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.504 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.9 t30 -64.12 -37.45 87.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.477 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -59.55 -38.7 81.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.816 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1199 ' ' CYS . . . . . 0.527 ' O ' ' HG ' ' A' 1203 ' ' LEU . 24.4 t -74.21 -51.25 16.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 0.0 110.096 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.5 m -67.15 -21.64 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.001 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 13.6 t -77.51 -41.25 39.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.662 0.268 . . . . 0.0 111.159 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1202 ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' 1154 ' ' THR . 20.9 p -86.86 -1.42 57.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.845 HD11 HD23 ' A' 1091 ' ' LEU . 57.7 mt -56.81 121.6 46.18 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1204 ' ' PRO . . . . . 0.456 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 56.8 Cg_endo -77.27 98.88 1.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.36 2.04 . . . . 0.0 110.558 169.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -126.65 41.51 1.61 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -116.05 146.32 42.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.773 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' 1207 ' ' ARG . 16.1 ptt85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.865 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.0 113.56 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.892 0.377 . . . . 0.0 110.433 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.25 152.45 79.0 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.744 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.33 92.99 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.586 2.191 . . . . 0.0 112.481 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 31.9 t80 -146.47 16.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.714 0.769 . . . . 0.0 109.198 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 19.0 p -101.16 26.9 6.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.421 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' 1047 ' ' PRO . . . 102.41 69.78 0.84 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.529 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1047 ' ' PRO . . . . . 0.446 ' HD3' ' H ' ' A' 1046 ' ' GLY . 21.5 Cg_exo -65.51 -46.32 5.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.58 2.186 . . . . 0.0 111.799 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 93.0 mt -134.74 143.49 47.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.479 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.56 -40.44 83.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.249 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.585 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 34.6 mtt -57.94 -37.81 74.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.256 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.31 -39.75 71.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.048 0.452 . . . . 0.0 110.144 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1052 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1056 ' ' VAL . 16.8 t -63.43 -47.23 82.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.797 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.028 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' 1058 ' ' GLN . 58.0 tp -59.45 -39.89 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 177.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -60.92 -35.8 77.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.722 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.551 ' O ' ' HG ' ' A' 1060 ' ' LEU . 58.3 t -65.07 -41.96 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.124 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 33.8 t -62.22 -35.28 68.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' 1054 ' ' LEU . 71.4 mt-30 -65.45 -37.95 88.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.569 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1059 ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' A' 1056 ' ' VAL . 0.6 OUTLIER -76.46 -26.83 55.81 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.205 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1056 ' ' VAL . 91.3 mt -67.66 -45.46 75.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.633 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' 1065 ' ' GLN . 7.9 pt-20 -63.92 -36.96 85.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' 1058 ' ' GLN . 98.6 mttt -58.87 -48.97 79.51 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' 1067 ' ' ILE . 5.8 m-20 -62.96 -40.03 96.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.982 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.2 mt -66.61 -33.23 75.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' 1061 ' ' GLU . 80.8 mm-40 -61.47 -42.64 99.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.98 -42.85 75.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.089 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' 1063 ' ' ASP . 79.4 mt -65.68 -32.39 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.502 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.08 -45.97 91.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.253 0.549 . . . . 0.0 110.161 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.09 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.492 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.41 86.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -64.88 -41.35 95.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 177.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.19 -39.38 89.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1073 ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' 1075 ' ' LYS . 25.0 t70 -73.43 -36.11 65.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 112.36 9.68 19.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.338 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1075 ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' 1073 ' ' ASP . 31.6 mmmt -92.36 10.6 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 111.166 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 47.1 tp -60.5 121.21 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' 1079 ' ' LEU . 59.6 tptt -58.3 107.73 1.05 Allowed Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.057 0.543 . . . . 0.0 110.738 -178.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.615 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 57.6 Cg_endo -79.05 -13.71 13.91 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.348 2.032 . . . . 0.0 112.452 -173.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.41 ' O ' ' HE3' ' A' 1077 ' ' LYS . 8.4 mp -115.11 90.56 24.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.398 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.77 -17.25 37.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.606 2.204 . . . . 0.0 111.478 177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 94.24 5.89 61.84 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1082 ' ' GLU . . . . . 0.771 ' HB2' ' HD3' ' A' 1086 ' ' LYS . 11.0 pt-20 -147.84 167.56 24.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 6.2 p -83.54 164.99 19.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.25 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.14 -33.99 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.58 -36.03 68.89 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.252 0.345 . . . . 0.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1086 ' ' LYS . . . . . 0.771 ' HD3' ' HB2' ' A' 1082 ' ' GLU . 29.1 mtpt -66.71 -50.45 62.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.599 177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 63.9 m -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.7 p -69.42 -34.55 74.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.045 0.45 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.76 -44.2 50.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.207 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.55 -36.26 82.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.409 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.469 HD23 HD11 ' A' 1203 ' ' LEU . 15.7 tp -61.26 -40.98 96.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.41 67.67 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.846 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.39 -44.43 95.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.636 0.255 . . . . 0.0 111.121 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' 1130 ' ' SER . 6.2 p -64.88 -43.13 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.488 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1196 ' ' LEU . 53.2 m -53.59 -51.8 61.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.581 174.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.45 -41.19 93.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.32 -58.77 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.268 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' 1094 ' ' SER . 8.1 p -68.01 -30.01 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.213 -176.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.0 t -62.5 -34.16 76.32 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.374 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.24 -31.38 60.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.217 0.532 . . . . 0.0 110.274 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.448 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -76.05 -43.84 41.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.667 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 26.7 pt -62.79 -25.27 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.681 0.277 . . . . 0.0 110.914 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.27 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 74.2 mmtt -76.76 -36.52 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.772 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.7 -37.11 86.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.282 0.563 . . . . 0.0 110.241 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.627 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 44.6 tp -60.53 116.5 4.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.559 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 103.73 133.89 8.04 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.576 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.49 123.2 22.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' 1114 ' ' GLU . 10.4 tt -115.99 132.37 65.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 67.33 -85.35 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 O-C-N 124.0 0.813 . . . . 0.0 111.073 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -140.5 -39.75 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.416 0.627 . . . . 0.0 109.863 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1112 ' ' GLY . . . . . 0.604 ' HA3' ' HA ' ' A' 1173 ' ' SER . . . 156.05 130.06 1.25 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 8.2 t30 65.21 95.52 0.05 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.688 0.756 . . . . 0.0 109.562 -173.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.605 ' H ' ' HB3' ' A' 1117 ' ' ALA . 4.3 tm-20 -123.66 172.73 8.59 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.563 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.474 ' H ' ' CD ' ' A' 1114 ' ' GLU . 50.1 t30 -58.98 -46.78 87.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -58.92 -37.97 77.89 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.791 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.605 ' HB3' ' H ' ' A' 1114 ' ' GLU . . . -62.0 -41.58 98.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.663 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.59 -44.08 65.38 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.109 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' 1115 ' ' ASN . 76.9 mt -57.61 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.675 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -66.38 -37.68 85.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.428 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.89 -40.04 94.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 110.735 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -67.72 -35.1 78.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.317 0.579 . . . . 0.0 109.996 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1123 ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 25.9 t70 -73.91 -39.35 63.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.354 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.675 ' O ' ' HG ' ' A' 1128 ' ' LEU . 29.6 m -62.33 -40.32 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.568 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.7 87.81 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.849 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.28 97.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.302 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.73 72.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.215 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' 1124 ' ' VAL . 88.4 mt -64.36 -41.07 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' 1133 ' ' GLN . 19.7 ptt85 -65.2 -40.06 93.65 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.988 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1130 ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' 1094 ' ' SER . 16.4 m -66.32 -39.61 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.437 HD22 HD12 ' A' 1091 ' ' LEU . 0.5 OUTLIER -57.23 -48.41 78.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.492 176.726 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.302 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' 1129 ' ' ARG . 25.6 mt-30 -60.55 -44.29 96.29 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.8 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.66 94.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.791 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -63.01 -34.44 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.133 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.8 mmp_? -65.14 -44.38 88.79 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.128 0.489 . . . . 0.0 110.018 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.73 88.33 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.355 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.2 t -54.06 -46.24 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.26 94.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.443 . . . . 0.0 111.397 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -74.61 -26.21 59.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.266 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 75.4 mt -85.42 -37.35 19.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.3 t -72.61 150.68 42.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 0.0 110.319 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1143 ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' 1145 ' ' PRO . 19.9 m -105.15 5.27 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.454 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.6 t70 -92.85 108.86 35.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.528 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1143 ' ' SER . 2.9 Cg_exo -76.25 66.17 7.09 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.673 2.248 . . . . 0.0 111.621 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.42 -46.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.261 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' 1151 ' ' VAL . 23.8 m -72.98 -23.08 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 173.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.688 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.9 mt-30 -57.76 -55.07 39.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.33 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.9 OUTLIER -72.54 -46.53 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.618 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' 1147 ' ' VAL . 2.7 p -63.93 -32.59 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.814 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.6 mt -73.97 -43.85 56.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.699 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.85 -43.1 84.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.652 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.513 ' O ' HG23 ' A' 1158 ' ' VAL . 5.7 p -59.93 -40.2 88.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.482 0.182 . . . . 0.0 111.311 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1155 ' ' ALA . . . . . 0.449 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -63.91 -31.24 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.443 . . . . 0.0 110.93 176.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.1 t -71.36 -35.15 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.7 -39.61 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.073 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 1154 ' ' THR . 97.7 t -53.26 -57.11 5.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 177.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.552 HD21 HD12 ' A' 1064 ' ' LEU . 4.4 pp -69.4 -30.25 68.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.068 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.517 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -57.98 -49.36 77.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.006 0.431 . . . . 0.0 110.624 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.3 mptt -70.39 -36.65 74.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.362 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.4 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 37.1 m -63.37 -51.61 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.845 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 14.3 m -61.91 -29.26 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.768 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -65.49 -49.76 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.8 mt -70.38 -38.78 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.007 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' 1170 ' ' LYS . 46.9 mt-10 -66.5 -39.35 88.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.063 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.0 -35.6 81.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 110.13 174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.06 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1170 ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' 1167 ' ' GLU . 21.9 mmtp -60.84 -35.67 77.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 110.075 172.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.13 -42.95 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.647 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1172 ' ' ALA . . . . . 0.597 ' HA ' ' NE2' ' A' 1175 ' ' HIS . . . -55.28 -35.91 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.522 0.514 . . . . 0.0 110.867 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1173 ' ' SER . . . . . 0.604 ' HA ' ' HA3' ' A' 1112 ' ' GLY . 38.6 t -77.2 -45.01 28.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.374 175.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.58 58.78 1.31 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.457 -175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.597 ' NE2' ' HA ' ' A' 1172 ' ' ALA . 0.6 OUTLIER -167.73 158.82 9.69 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.326 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -83.19 -21.67 4.44 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.039 1.826 . . . . 0.0 113.084 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 157.74 95.33 0.11 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.006 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -117.42 122.39 31.01 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-O 120.589 0.233 . . . . 0.0 110.937 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' A' 1183 ' ' GLN . 21.0 Cg_endo -61.69 -42.0 35.17 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.297 2.665 . . . . 0.0 112.92 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' 1184 ' ' ARG . 10.1 mm-40 -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 111.262 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1181 ' ' SER . . . . . 0.5 ' HB3' ' HE1' ' A' 1175 ' ' HIS . 34.4 t -56.77 -53.35 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.216 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.26 -27.06 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' 1179 ' ' PRO . 75.3 mm-40 -80.28 -42.42 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.176 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' 1180 ' ' GLU . 37.3 mmt180 -64.5 -37.29 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 177.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' 1188 ' ' VAL . 14.2 tp -62.26 -33.8 75.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1186 ' ' ALA . . . . . 0.627 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -70.46 -43.08 70.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.566 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -67.25 -46.54 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.768 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.7 p -67.57 -33.04 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.599 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.475 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -61.1 -42.57 98.77 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.294 0.569 . . . . 0.0 110.047 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.01 -34.91 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.407 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.55 88.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.609 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1188 ' ' VAL . 67.7 t -63.59 -39.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.333 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 41.6 m -57.56 -42.38 82.9 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.546 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.39 -35.08 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.221 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.69 92.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.34 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.71 ' HB3' HG23 ' A' 1095 ' ' THR . 83.4 mt -57.51 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.633 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.548 ' HA ' HG22 ' A' 1200 ' ' VAL . 0.0 OUTLIER -64.07 -36.15 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.47 -178.592 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.69 -33.7 74.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.624 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.1 t -76.61 -49.54 16.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.5 . . . . 0.0 109.873 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' 1197 ' ' ASN . 24.2 m -68.46 -23.16 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.356 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 14.5 t -77.53 -24.19 50.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.78 0.324 . . . . 0.0 110.375 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 87.1 m -78.88 -6.09 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.469 HD11 HD23 ' A' 1091 ' ' LEU . 91.4 mt -62.73 130.57 93.84 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1204 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 51.7 Cg_exo -55.04 145.99 60.78 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.134 2.556 . . . . 0.0 112.696 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -56.83 -39.27 87.53 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -139.88 -77.57 0.32 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.925 0.869 . . . . 0.0 108.935 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.187 175.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1041 ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' 1041 ' ' ILE . 3.9 mp -100.48 -50.32 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.746 0.308 . . . . 0.0 110.994 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.631 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 23.3 t70 -130.65 -54.23 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 42.0 Cg_exo -57.72 95.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.159 1.906 . . . . 0.0 113.133 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 34.7 t80 -143.41 28.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.778 0.799 . . . . 0.0 109.444 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 11.9 p -93.07 2.35 56.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.997 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -62.08 -60.34 8.15 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.633 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -65.05 164.36 25.3 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.506 2.138 . . . . 0.0 112.142 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.22 106.67 12.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.903 0.382 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.89 -39.97 69.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.566 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.7 mtt -63.37 -45.81 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.3 -38.63 81.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 36.0 m -69.58 -35.18 75.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.862 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.33 -35.03 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 1166 ' ' ILE . 36.2 tp -57.4 -42.5 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.662 178.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 42.1 m -58.62 -41.18 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.588 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.473 ' O ' ' HG ' ' A' 1060 ' ' LEU . 51.0 t -65.34 -47.75 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.712 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1053 ' ' ALA . 70.9 t -58.38 -47.13 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.428 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 111.45 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1059 ' ' ASN . . . . . 0.539 ' HA ' ' HD3' ' A' 1062 ' ' LYS . 16.4 m-80 -76.3 -28.52 57.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.689 0.28 . . . . 0.0 111.188 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' 1064 ' ' LEU . 95.9 mt -64.56 -47.01 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.606 ' HB3' HD11 ' A' 1159 ' ' LEU . 14.9 pt-20 -69.76 -29.3 66.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 110.856 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' 1059 ' ' ASN . 46.6 mtpt -57.75 -43.87 85.7 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.126 0.489 . . . . 0.0 110.319 173.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.477 ' O ' HG13 ' A' 1067 ' ' ILE . 29.5 t70 -64.69 -43.74 92.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.439 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.834 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.2 mt -64.47 -33.96 77.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.389 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' 1068 ' ' LYS . 54.8 mt-30 -64.58 -39.66 94.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.765 0.317 . . . . 0.0 110.754 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.64 -32.66 71.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.07 0.462 . . . . 0.0 110.25 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' 1063 ' ' ASP . 75.3 mt -70.32 -44.52 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.629 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' 1065 ' ' GLN . 19.1 pttp -70.3 -28.72 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.359 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.273 0.558 . . . . 0.0 110.196 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -71.21 -33.51 69.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.43 -35.02 75.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -53.2 56.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.534 174.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.07 -40.45 82.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.43 16.09 6.19 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.158 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -86.94 -71.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.637 0.256 . . . . 0.0 110.882 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.493 HD12 ' NE2' ' A' 1148 ' ' GLN . 8.7 mt 51.55 -174.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.814 -173.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.94 92.27 38.42 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.285 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.52 21.87 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.061 2.507 . . . . 0.0 113.451 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.483 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 8.0 mp -77.48 109.78 10.56 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 5.5 Cg_endo -87.42 134.4 3.43 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.161 2.574 . . . . 0.0 112.873 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -98.85 -31.23 6.39 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -166.11 174.39 9.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.95 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1083 ' ' THR . . . . . 0.582 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 25.5 p -70.32 163.92 25.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.829 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.45 -43.1 98.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.793 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.582 ' OE1' ' HB ' ' A' 1083 ' ' THR . 1.5 pm0 -63.92 -27.13 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 111.127 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1086 ' ' LYS . . . . . 0.52 ' NZ ' ' HB3' ' A' 1086 ' ' LYS . 7.8 mtpm? -79.89 -41.98 25.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 0.0 110.293 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 8.6 t -67.15 -35.43 79.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.976 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.9 p -69.56 -30.08 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -71.3 -45.05 63.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.711 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.94 -34.42 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.091 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.847 HD23 HD11 ' A' 1203 ' ' LEU . 26.1 tp -60.84 -53.0 62.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 175.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -66.9 -31.15 77.33 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.555 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -65.55 -45.08 84.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.322 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.7 m -65.53 -33.49 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.221 0.534 . . . . 0.0 109.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.716 HG23 ' HB3' ' A' 1196 ' ' LEU . 51.6 m -57.77 -51.67 68.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.814 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -60.12 -36.38 77.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.21 40.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.608 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.6 p -73.04 -23.79 20.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.271 -177.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.6 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.73 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 25.1 m -72.21 -35.91 69.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.172 0.51 . . . . 0.0 110.14 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.55 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' 1098 ' ' VAL . 14.2 pt -61.74 -36.99 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.352 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.69 90.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.981 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.8 -22.57 56.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.758 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.461 HD21 HG12 ' A' 1166 ' ' ILE . 41.4 tp -57.28 -25.45 59.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.489 0.316 . . . . 0.0 111.327 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1185 ' ' LEU . 10.3 mp -69.64 -4.9 21.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.377 177.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 81.95 35.64 20.98 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -167.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 13.7 tp10 72.82 -71.22 0.14 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.051 -1.074 . . . . 0.0 109.569 -170.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 23.8 mm -145.94 -49.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -77.85 145.6 36.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.013 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1111 ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' 1111 ' ' GLN . 21.2 mt-30 -65.07 121.24 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.882 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -172.72 105.44 0.21 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.064 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 5.8 t30 -83.89 71.56 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.494 0.664 . . . . 0.0 109.727 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -102.1 -166.76 1.32 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.207 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.461 ' O ' HG13 ' A' 1119 ' ' ILE . 17.9 m120 -63.84 -36.97 85.66 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 110.212 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -58.0 -51.72 68.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.413 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.566 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -62.81 -36.26 82.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.831 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -63.62 -48.39 77.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.013 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' 1115 ' ' ASN . 93.7 mt -59.29 -41.53 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.38 93.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.271 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.48 -26.88 67.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1122 ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' 1122 ' ' ARG . 52.5 mtp85 -77.83 -44.35 27.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.6 -38.02 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.904 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.744 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.4 m -60.41 -46.56 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.83 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.29 95.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.69 0.281 . . . . 0.0 110.525 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.84 -41.24 98.88 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.184 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1127 ' ' GLY . . . . . 0.493 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -67.45 -44.1 84.95 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.295 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.8 mt -66.48 -41.73 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -65.47 -35.6 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.967 0.413 . . . . 0.0 110.363 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 19.3 m -74.86 -37.4 62.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.909 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.407 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -58.29 -49.95 75.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.353 175.775 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.834 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.25 -51.32 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.64 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.86 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 70.7 mt-30 -66.53 -34.32 77.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.893 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.27 77.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 0.0 110.78 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -65.97 -39.02 90.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.86 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 45.2 mtp180 -57.38 -46.65 83.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -56.94 -48.51 78.48 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.011 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.9 t -57.5 -46.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.48 87.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.878 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.73 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.587 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.7 mt -76.42 -35.43 58.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.366 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' 1148 ' ' GLN . 10.6 t -77.5 143.01 38.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 14.3 m -103.53 17.84 23.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.476 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' 1148 ' ' GLN . 49.9 m-20 -108.17 108.69 61.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.54 -177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.74 67.62 2.3 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.897 2.398 . . . . 0.0 112.361 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.42 -48.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.062 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1151 ' ' VAL . 27.3 m -78.85 -22.1 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.643 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.629 ' HG3' ' O ' ' A' 1144 ' ' ASP . 43.8 mt-30 -62.08 -47.07 86.29 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.63 -30.66 64.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.776 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -38.88 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.421 -176.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' 1135 ' ' ALA . 2.7 p -69.75 -34.67 61.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.078 0.466 . . . . 0.0 110.63 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.6 mt -76.22 -40.93 50.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 110.189 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.51 -48.5 81.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.893 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.422 ' O ' HG23 ' A' 1158 ' ' VAL . 13.8 p -64.0 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.815 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.61 89.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.504 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1156 ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 63.7 m -64.24 -35.26 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.762 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1157 ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' 1161 ' ' LYS . 15.7 t70 -66.46 -31.37 72.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.964 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1154 ' ' THR . 94.5 t -61.99 -56.68 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.234 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' 1061 ' ' GLU . 1.6 pt? -78.12 -29.51 48.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.461 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.507 ' OD2' ' HA ' ' A' 1157 ' ' ASP . 0.0 OUTLIER -67.0 -31.61 72.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.955 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.551 ' HD3' ' O ' ' A' 1157 ' ' ASP . 13.1 mptt -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 173.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 42.7 t -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.721 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' 1168 ' ' GLU . 21.8 m -70.12 -19.96 63.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.651 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' 1162 ' ' ALA . 48.0 tp -71.91 -45.85 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.461 HG12 HD21 ' A' 1105 ' ' LEU . 52.3 mt -65.3 -42.72 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1170 ' ' LYS . 44.7 mt-10 -67.37 -36.47 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.4 tp10 -60.56 -38.47 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.94 77.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.767 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1170 ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' 1167 ' ' GLU . 19.8 mmmt -56.98 -46.0 82.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.648 174.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -72.89 -38.44 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.12 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -56.84 -37.38 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 42.2 m -63.65 -15.95 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -81.92 -2.84 90.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.927 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.584 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 75.4 m-70 -110.93 140.05 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -83.38 44.01 1.55 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.82 2.347 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 91.03 64.33 1.19 Allowed Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -175.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.584 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 15.0 t70 -95.77 125.93 47.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.515 0.198 . . . . 0.0 110.718 -173.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.486 ' O ' ' HG2' ' A' 1183 ' ' GLN . 11.4 Cg_endo -54.67 -47.29 27.54 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.136 2.558 . . . . 0.0 112.693 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.2 -38.01 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.747 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 18.4 t -60.08 -43.39 95.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' 1178 ' ' ASP . 54.8 mt-30 -62.28 -43.42 98.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.502 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' 1187 ' ' GLN . 29.7 mm-40 -63.4 -46.31 87.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -64.01 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1106 ' ' LEU . 30.7 tp -61.96 -38.35 88.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1186 ' ' ALA . . . . . 0.727 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -72.46 -39.32 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.327 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' 1183 ' ' GLN . 98.3 mt-30 -61.79 -45.72 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.235 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.423 HG13 HD13 ' A' 1165 ' ' LEU . 14.8 p -69.55 -30.86 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' 1106 ' ' LEU . . . -65.51 -44.52 86.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.935 0.398 . . . . 0.0 110.215 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' 1194 ' ' GLN . 9.5 mtmp? -64.27 -30.49 71.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1188 ' ' VAL . 25.4 t -66.94 -44.01 88.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.853 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1193 ' ' THR . . . . . 0.505 ' HA ' HD12 ' A' 1196 ' ' LEU . 17.0 m -59.24 -40.58 86.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1194 ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' 1190 ' ' LYS . 70.2 mm-40 -67.85 -40.69 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.272 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.716 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -55.28 -52.09 64.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.859 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.503 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.3 t30 -65.99 -36.66 83.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -60.08 -35.15 74.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.699 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 31.0 t -74.71 -51.6 13.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 109.872 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.503 HG22 ' HA ' ' A' 1197 ' ' ASN . 25.6 m -66.32 -21.68 29.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.495 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 25.7 t -77.28 -37.61 52.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.564 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 82.0 m -82.4 -2.28 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.847 HD11 HD23 ' A' 1091 ' ' LEU . 79.2 mt -62.98 128.84 92.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.348 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.95 103.67 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 111.063 176.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -95.01 76.2 0.9 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.52 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.3 120.63 18.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 . . . . . 0 C--O 1.251 1.184 0 O-C-N 123.843 0.714 . . . . 0.0 111.255 179.173 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 47.5 mm 62.95 86.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.359 0.599 . . . . 0.0 111.074 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.53 ' H ' ' HD2' ' A' 1043 ' ' PRO . 2.8 m-20 -95.23 -55.21 0.22 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.675 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' A' 1042 ' ' ASP . 19.6 Cg_endo -62.15 107.98 0.62 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 27.5 p90 -90.94 45.01 1.22 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.475 0.655 . . . . 0.0 110.512 -175.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 55.3 p -80.61 54.45 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.797 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 156.18 121.37 0.71 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.437 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.63 -18.36 48.31 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.792 2.328 . . . . 0.0 112.143 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.16 100.45 12.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.988 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' 1049 ' ' GLU . 0.7 OUTLIER -68.03 -17.91 64.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.54 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.69 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.1 mtt -47.23 -38.42 12.2 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.331 170.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.76 -46.06 81.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.377 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 5.4 m -60.64 -46.23 91.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.62 -41.13 79.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.682 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' 1166 ' ' ILE . 66.4 tp -56.95 -42.62 80.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.68 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 35.4 t -58.12 -43.57 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.269 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.436 ' O ' ' HG ' ' A' 1060 ' ' LEU . 64.3 t -64.22 -48.29 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.855 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1053 ' ' ALA . 65.1 t -57.19 -44.95 84.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.151 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' 1062 ' ' LYS . 27.3 mt-30 -60.4 -34.66 74.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.28 -22.89 57.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.964 0.411 . . . . 0.0 110.606 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' 1064 ' ' LEU . 96.1 mt -76.5 -54.99 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.464 ' HB3' ' HB2' ' A' 1159 ' ' LEU . 0.5 OUTLIER -56.57 -41.01 76.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -178.25 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' 1065 ' ' GLN . 51.0 mttm -74.48 -24.35 59.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' 1067 ' ' ILE . 23.9 t0 -71.76 -40.25 69.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' 1060 ' ' LEU . 18.9 mt -69.13 -35.87 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.705 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' 1062 ' ' LYS . 10.9 pt20 -65.42 -33.85 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.534 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.36 -44.0 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' 1064 ' ' LEU . 33.3 mt -65.06 -37.97 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.004 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.665 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 32.8 ttmt -57.65 -47.19 82.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.162 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.3 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.9 94.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.992 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -72.02 -30.39 65.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.246 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.075 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1073 ' ' ASP . . . . . 0.446 ' OD1' ' HE2' ' A' 1075 ' ' LYS . 12.8 t70 -75.99 -63.51 1.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.358 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 142.1 34.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1075 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1073 ' ' ASP . 75.1 mmtt -104.6 1.04 29.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.706 0.289 . . . . 0.0 110.643 -176.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1071 ' ' ALA . 21.9 tp -75.68 130.67 39.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -175.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.434 ' O ' ' HB1' ' A' 1140 ' ' ALA . 70.9 mmtt -75.74 115.78 49.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.532 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.541 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 3.8 Cg_exo -71.23 -73.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.075 1.85 . . . . 0.0 111.213 -178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 55.3 mt 66.57 149.2 0.12 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 112.364 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -82.86 44.24 1.64 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.958 2.439 . . . . 0.0 111.963 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -79.89 79.06 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.855 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 68.99 -174.33 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.064 0.545 . . . . 0.0 111.881 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 30.4 p -94.11 157.6 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1084 ' ' MET . . . . . 0.419 ' HE1' ' HB ' ' A' 1142 ' ' THR . 46.1 ttm -72.77 -29.42 63.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -55.02 -47.61 74.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.572 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -63.62 -43.68 96.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.604 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 67.3 m -64.39 -44.18 92.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.406 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 30.5 p -69.34 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.441 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -70.3 -47.02 63.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.171 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -38.91 89.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.413 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.868 HD23 HD11 ' A' 1203 ' ' LEU . 15.2 tp -60.59 -52.56 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.746 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -57.5 -40.97 93.14 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.75 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.31 -46.41 73.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.434 ' O ' HG12 ' A' 1098 ' ' VAL . 57.6 m -59.93 -34.94 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.916 HG23 ' HB3' ' A' 1196 ' ' LEU . 87.6 m -56.65 -52.07 66.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.708 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 63.2 mttm -64.51 -36.62 84.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.8 54.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.502 HG21 HD21 ' A' 1128 ' ' LEU . 7.5 p -73.46 -24.7 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.084 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 66.3 m -63.96 -36.63 84.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.164 0.506 . . . . 0.0 110.26 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 19.7 m -70.99 -25.59 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.953 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.29 23.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.697 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.6 pt -64.45 -25.54 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.243 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.54 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.947 0.403 . . . . 0.0 110.523 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 80.1 mttt -75.84 -34.73 60.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.137 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 72.4 mt -72.55 -26.81 61.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.54 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 38.0 tp -66.74 -35.57 80.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.717 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.25 39.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.756 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.72 133.76 36.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' 1109 ' ' ILE . 3.6 mp -80.28 -57.83 4.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -134.37 -12.97 2.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.942 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -153.61 145.24 23.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.496 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -139.01 -65.01 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.496 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1113 ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' 1115 ' ' ASN . 4.7 m-20 60.41 26.24 15.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.754 0.422 . . . . 0.0 110.825 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 68.5 -37.29 0.35 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.768 0.827 . . . . 0.0 111.883 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' 1119 ' ' ILE . 5.3 t-20 -53.75 -36.54 62.44 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.211 0.604 . . . . 0.0 111.922 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.23 -32.09 68.0 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.926 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.664 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -61.46 -39.46 90.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.525 . . . . 0.0 110.237 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.404 ' HA3' ' CD ' ' A' 1049 ' ' GLU . . . -79.91 -34.43 30.65 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' 1115 ' ' ASN . 74.2 mt -60.45 -49.41 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.509 . . . . 0.0 109.953 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.98 -32.56 73.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.396 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.6 -37.37 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.706 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.25 -26.12 42.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.267 0.556 . . . . 0.0 109.893 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -75.52 -44.66 42.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.952 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.716 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.3 m -61.59 -41.73 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.751 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.68 -43.12 72.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.3 -47.27 86.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.161 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.08 94.17 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.35 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' 1124 ' ' VAL . 73.0 mt -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' 1125 ' ' ALA . 36.9 mtm180 -61.75 -53.03 61.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -59.36 -39.55 83.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.703 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.431 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.57 -53.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.994 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.55 -53.41 58.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.248 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.767 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 79.3 mm-40 -64.66 -34.54 78.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.03 85.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -67.36 -36.93 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.767 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 19.9 mtp180 -59.41 -44.53 92.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.461 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.63 -47.53 90.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.875 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 76.5 t -54.23 -46.22 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.734 0.302 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.38 -45.48 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.061 -177.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -73.49 -27.2 61.26 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.348 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1137 ' ' GLY . 96.9 mt -75.36 -41.99 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.566 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.597 HG21 HG12 ' A' 1147 ' ' VAL . 9.7 t -70.21 147.33 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 110.724 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 6.3 p -98.47 -0.08 44.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.051 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.8 t70 -83.54 114.35 52.93 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -77.6 65.46 8.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.581 2.187 . . . . 0.0 111.693 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -174.01 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.962 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.597 HG12 HG21 ' A' 1142 ' ' THR . 2.2 t -59.44 -36.19 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.653 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.5 mt-30 -52.43 -46.76 66.51 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.77 62.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.631 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' 1135 ' ' ALA . 3.3 p -70.38 -33.46 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 1148 ' ' GLN . 43.0 mt -78.37 -41.05 34.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.235 0.54 . . . . 0.0 110.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1153 ' ' ASP . . . . . 0.665 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 30.3 t70 -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.881 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.544 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 17.5 p -68.54 -41.71 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.044 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.96 94.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.747 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -68.85 -30.3 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.936 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.25 -40.17 93.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' 1154 ' ' THR . 97.9 t -59.31 -46.75 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.388 174.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' 1061 ' ' GLU . 12.1 mt -71.07 -31.58 68.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.81 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -40.98 73.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.522 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.418 ' HB3' HG22 ' A' 1192 ' ' VAL . 5.5 mptp? -79.8 -39.35 31.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.641 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -61.14 -46.12 91.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.448 -178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 47.7 m -59.7 -44.78 93.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.014 0.435 . . . . 0.0 110.167 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 1168 ' ' GLU . 16.5 m -69.95 -25.25 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.231 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.11 -49.62 66.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.583 ' HB ' HD13 ' A' 1054 ' ' LEU . 63.9 mt -67.99 -42.27 85.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.583 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.69 -38.02 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.187 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' 1164 ' ' SER . 6.1 tp10 -57.39 -47.22 82.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1169 ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -67.41 -33.63 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.62 -41.69 91.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.79 -43.36 75.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.416 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.34 71.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 46.5 t -62.96 -20.09 64.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -85.67 -3.35 86.24 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.149 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.469 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 79.8 m80 -99.37 135.63 20.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 6.1 Cg_exo -79.69 35.18 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.595 2.863 . . . . 0.0 112.379 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 104.27 91.86 2.23 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -134.64 119.04 13.76 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -174.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.615 ' O ' ' HG2' ' A' 1182 ' ' GLN . 36.3 Cg_endo -65.23 -29.58 55.23 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.999 2.466 . . . . 0.0 112.902 -177.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.99 -35.02 62.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.076 0.465 . . . . 0.0 110.367 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 29.9 m -64.25 -40.35 95.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.128 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' 1179 ' ' PRO . 3.8 pt20 -70.95 -24.06 62.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.685 0.279 . . . . 0.0 110.504 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' 1179 ' ' PRO . 99.3 mt-30 -67.38 -34.81 78.06 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 109.755 176.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -63.49 -41.48 98.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' 1169 ' ' ALA . 4.0 mm? -60.95 -42.33 98.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1186 ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -60.13 -42.01 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.5 -51.27 61.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.381 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' 1192 ' ' VAL . 12.0 p -71.87 -33.69 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.626 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 92.99 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 110.609 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' 1194 ' ' GLN . 97.3 mttt -70.07 -34.48 73.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.15 82.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1188 ' ' VAL . 49.8 t -61.41 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.853 175.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 29.1 m -60.45 -38.98 85.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1194 ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' 1190 ' ' LYS . 30.1 mm-40 -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.497 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' 1198 ' ' ARG . . . -60.93 -41.72 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.916 ' HB3' HG23 ' A' 1095 ' ' THR . 76.7 mt -62.34 -47.91 82.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.688 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.08 -32.21 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 109.701 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1198 ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' 1195 ' ' ALA . 34.7 ttm180 -63.32 -32.93 74.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.398 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1199 ' ' CYS . . . . . 0.544 ' SG ' ' HB ' ' A' 1154 ' ' THR . 91.4 m -73.29 -51.94 15.72 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.541 -177.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' A' 1203 ' ' LEU . 24.4 m -69.53 -21.96 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.244 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.1 t -73.07 -42.78 62.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.0 p -80.4 -4.85 55.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.791 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.868 HD11 HD23 ' A' 1091 ' ' LEU . 97.2 mt -64.97 134.05 95.95 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.688 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.04 58.56 4.96 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.108 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -89.56 41.61 3.0 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.505 ' HG3' ' HG3' ' A' 1207 ' ' ARG . 12.8 pt20 -90.5 179.23 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.613 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.505 ' HG3' ' HG3' ' A' 1206 ' ' GLN . 92.3 mtt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.502 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.676 -0.169 . . . . 0.0 112.676 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 27.7 mt -91.91 -20.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.282 0.563 . . . . 0.0 109.627 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' 1043 ' ' PRO . 4.9 m-20 -58.27 137.74 84.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.305 -178.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1042 ' ' ASP . 23.3 Cg_exo -64.16 106.38 0.67 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.32 2.014 . . . . 0.0 110.134 171.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 65.5 t80 -114.77 -21.64 10.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 -172.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 42.0 p 46.31 47.86 13.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.68 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -148.33 90.16 0.14 Allowed Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.422 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.89 -39.27 31.87 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.527 2.818 . . . . 0.0 113.419 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 93.4 mt -120.52 115.32 23.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.33 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.583 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 19.1 mm-40 -57.42 -29.3 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.251 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 55.3 mtt -65.83 -34.83 79.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.89 -40.5 63.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.765 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 9.0 p -69.66 -40.05 76.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.483 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.506 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.491 ' HA ' HG12 ' A' 1057 ' ' VAL . 47.7 tp -61.0 -41.67 96.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.351 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 22.2 t -60.52 -43.19 97.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' 1060 ' ' LEU . 97.9 t -62.52 -52.08 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.088 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.5 p -64.73 -33.59 64.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -175.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 48.4 mt-30 -67.27 -33.73 75.94 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.903 0.383 . . . . 0.0 110.772 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -71.95 -29.77 64.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.865 0.364 . . . . 0.0 110.555 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.8 mt -72.21 -48.68 41.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.743 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.791 ' HB3' HD13 ' A' 1159 ' ' LEU . 9.3 pt-20 -61.88 -46.68 88.35 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.957 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.91 -41.36 78.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.756 0.313 . . . . 0.0 111.257 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.5 -47.96 76.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.288 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.734 HD12 HD21 ' A' 1159 ' ' LEU . 31.4 mt -67.57 -29.43 68.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.9 mt-30 -61.76 -38.03 86.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.05 -44.89 36.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.399 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.66 HD12 HD23 ' A' 1064 ' ' LEU . 96.5 mt -59.64 -38.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' 1152 ' ' LEU . 38.2 ttpt -65.93 -41.5 91.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.604 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.77 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.507 . . . . 0.0 109.968 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.83 78.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.675 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' 1076 ' ' LEU . . . -63.62 -41.73 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.997 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -65.07 -40.57 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.485 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.77 -26.73 37.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 111.554 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 99.05 31.78 6.11 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.263 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.98 13.9 31.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.449 ' O ' ' HD3' ' A' 1078 ' ' PRO . 80.1 mt -70.7 169.58 14.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 175.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -102.63 96.61 7.73 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' 1076 ' ' LEU . 4.2 Cg_endo -84.17 27.17 0.62 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.064 2.509 . . . . 0.0 112.77 -172.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 8.5 mp -78.2 111.25 17.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 1.5 Cg_endo -84.36 50.46 3.03 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.614 2.876 . . . . 0.0 112.552 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -61.8 -55.58 27.63 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.61 136.03 35.39 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 25.4 p -81.43 155.82 25.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.118 0.485 . . . . 0.0 111.884 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 53.2 ttm -58.62 -30.54 67.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.015 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.19 -43.84 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -72.52 -40.99 66.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1087 ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' 1091 ' ' LEU . 78.9 m -60.56 -44.56 96.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1088 ' ' THR . . . . . 0.4 HG22 HD13 ' A' 1203 ' ' LEU . 37.1 p -72.11 -38.53 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.46 -50.62 66.79 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.17 -27.61 63.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.171 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1203 ' ' LEU . 22.9 tp -60.99 -52.52 64.66 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -60.09 -38.76 94.83 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.044 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -63.25 -46.96 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.546 0.212 . . . . 0.0 110.661 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.424 ' O ' HG12 ' A' 1098 ' ' VAL . 49.8 m -63.9 -35.9 82.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.561 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' 1196 ' ' LEU . 90.4 m -55.78 -55.48 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.551 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.22 79.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.08 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.391 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.4 p -73.11 -23.18 19.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.92 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.7 m -63.52 -35.74 81.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.016 0.436 . . . . 0.0 110.437 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 22.6 t -75.31 -35.39 61.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.226 0.536 . . . . 0.0 109.766 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.404 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -64.49 -46.69 81.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.52 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' 1106 ' ' LEU . 33.3 pt -64.95 -25.61 38.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.069 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.91 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 110.777 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -75.98 -33.16 59.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.322 0.582 . . . . 0.0 109.985 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1165 ' ' LEU . 21.2 tp -67.91 -24.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.55 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' 1102 ' ' ILE . 51.4 mt -54.6 -29.57 52.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.513 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 67.18 74.03 0.6 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 162.46 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 7.1 tp -51.68 106.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 122.012 0.911 . . . . 0.0 111.842 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -165.06 -175.97 3.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.369 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -102.63 99.15 9.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 111.415 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 94.68 -28.86 10.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.063 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 65.8 t30 61.39 42.24 11.89 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -172.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -60.76 129.94 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.178 -1.373 . . . . 0.0 112.1 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' 1119 ' ' ILE . 16.1 m120 72.78 -39.61 0.45 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.174 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -57.92 -36.38 72.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.35 -45.58 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.965 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -76.66 -40.82 25.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' 1115 ' ' ASN . 82.3 mt -58.57 -48.99 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.969 0.414 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.52 78.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.461 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.13 -35.34 79.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 111.091 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -73.89 -32.58 63.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.099 0.476 . . . . 0.0 110.191 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1123 ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 23.1 t70 -78.22 -36.26 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.323 -174.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.7 m -62.4 -42.81 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.245 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' 1129 ' ' ARG . . . -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.43 94.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.302 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.46 -37.61 79.04 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.933 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' 1124 ' ' VAL . 64.4 mt -73.94 -37.14 64.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' 1125 ' ' ALA . 10.0 ptm180 -67.08 -38.32 85.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.503 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.7 m -69.51 -36.57 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.177 0.513 . . . . 0.0 109.909 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -61.38 -52.76 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.561 176.65 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.87 -45.91 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.759 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.44 -43.16 97.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.673 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.91 75.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.05 71.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.722 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.405 ' HA ' HD21 ' A' 1152 ' ' LEU . 33.7 ptt180 -67.83 -23.74 65.2 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.71 0.29 . . . . 0.0 110.761 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.537 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.25 -49.01 49.01 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 69.3 t -53.56 -45.88 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.13 93.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.102 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.82 -26.37 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.466 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 1137 ' ' GLY . 89.8 mt -79.89 -37.36 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.429 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.495 HG21 HG23 ' A' 1147 ' ' VAL . 9.0 t -80.56 150.19 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.776 0.322 . . . . 0.0 110.414 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 p -111.85 4.31 18.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 11.2 t70 -80.2 118.93 74.79 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -72.96 67.19 4.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.843 2.362 . . . . 0.0 112.048 178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1146 ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -169.19 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.408 176.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' 1151 ' ' VAL . 18.8 m -66.02 -28.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.239 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.59 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.8 mt-30 -54.18 -52.11 62.23 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.335 0.588 . . . . 0.0 110.463 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.59 -34.15 60.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.564 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -38.43 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' 1147 ' ' VAL . 5.1 p -69.79 -36.12 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 0.0 110.494 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.8 mt -76.71 -42.69 40.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.94 -41.76 83.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.411 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.546 ' O ' HG23 ' A' 1158 ' ' VAL . 4.6 p -70.74 -44.94 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.243 -0.183 . . . . 0.0 111.019 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.08 96.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.195 0.521 . . . . 0.0 110.856 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 19.0 t -66.48 -37.19 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.902 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.1 -34.77 78.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 110.357 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 1154 ' ' THR . 93.5 t -57.85 -62.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.623 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.791 HD13 ' HB3' ' A' 1061 ' ' GLU . 2.9 pp -67.21 -29.38 69.02 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.49 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.553 ' N ' HD12 ' A' 1159 ' ' LEU . 24.1 t70 -54.97 -47.33 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 110.451 174.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -77.68 -35.22 52.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -67.72 -35.5 78.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 0.0 111.61 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 10.1 t -63.8 -40.54 96.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -71.59 -30.54 65.95 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.756 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.5 OUTLIER -61.61 -48.55 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.89 -48.69 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.968 175.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.682 ' HB3' ' HE2' ' A' 1171 ' ' LYS . 10.8 mm-40 -65.46 -52.3 54.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.803 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.42 -34.27 64.28 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.417 0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1169 ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -56.64 -53.33 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.174 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1170 ' ' LYS . . . . . 0.406 ' HB2' ' HZ2' ' A' 1170 ' ' LYS . 10.6 mtmp? -70.65 -24.69 62.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.192 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.682 ' HE2' ' HB3' ' A' 1167 ' ' GLU . 64.2 mttm -77.66 -45.94 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.484 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1172 ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' 1181 ' ' SER . . . -64.7 -58.38 6.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.108 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 53.8 p -74.87 105.32 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 145.1 -9.14 1.74 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.556 -176.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' 1176 ' ' PRO . 62.7 m80 -75.74 161.81 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' 1175 ' ' HIS . 55.5 Cg_endo -67.17 86.99 0.31 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.372 2.048 . . . . 0.0 111.236 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 74.67 97.85 0.1 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.438 ' HB2' ' HB2' ' A' 1181 ' ' SER . 0.9 OUTLIER -115.38 84.75 12.15 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -174.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.31 -18.97 15.6 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.064 1.843 . . . . 0.0 109.96 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.38 -14.19 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.445 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1181 ' ' SER . . . . . 0.872 ' HA ' ' HB1' ' A' 1172 ' ' ALA . 44.9 t -58.21 -50.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.319 -174.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -68.65 -28.94 67.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.111 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' 1187 ' ' GLN . 35.8 tt0 -72.13 -49.2 37.86 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 120.786 0.327 . . . . 0.0 110.277 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' 1184 ' ' ARG . 2.8 mmp_? -52.05 -47.79 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.984 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' 1169 ' ' ALA . 46.6 mt -70.38 -40.68 73.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.955 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1186 ' ' ALA . . . . . 0.485 ' HA ' HD22 ' A' 1106 ' ' LEU . . . -60.65 -35.11 75.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.628 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.9 mt-30 -73.46 -50.15 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.756 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.4 p -69.58 -32.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.549 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.586 ' CB ' HD21 ' A' 1106 ' ' LEU . . . -62.66 -40.77 98.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.26 -31.77 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.838 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.9 96.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.05 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.589 HG21 HD12 ' A' 1165 ' ' LEU . 52.5 t -64.0 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 26.0 m -57.81 -45.38 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -69.69 -38.7 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.726 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.918 ' HB3' HG23 ' A' 1095 ' ' THR . 59.6 mt -58.11 -49.55 76.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.374 0.607 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.919 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.54 -28.85 65.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 12.8 t -73.16 -47.02 47.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.4 m -71.31 -22.7 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.389 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 35.3 t -77.63 -35.94 52.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.038 0.447 . . . . 0.0 110.82 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 86.3 m -86.06 -0.94 56.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.636 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1091 ' ' LEU . 65.0 mt -56.98 120.37 37.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.425 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1204 ' ' PRO . . . . . 0.435 ' HB3' HG11 ' A' 1147 ' ' VAL . 60.5 Cg_endo -75.13 139.85 24.44 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.768 2.312 . . . . 0.0 112.013 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -86.35 62.69 4.27 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.587 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 63.79 92.77 0.06 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.274 0.559 . . . . 0.0 110.747 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.426 ' NH2' HG13 ' A' 1147 ' ' VAL . 8.5 mtm180 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.81 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1041 ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' 1041 ' ' ILE . 0.2 OUTLIER -75.35 -33.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.283 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.788 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 18.9 t70 -92.41 -59.05 0.22 Allowed Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 175.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 4.9 Cg_exo -80.12 103.35 1.53 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.263 1.976 . . . . 0.0 111.358 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -156.57 75.74 0.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1045 ' ' THR . . . . . 0.482 ' HA ' ' CD1' ' A' 1048 ' ' LEU . 12.9 p -120.74 -21.1 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 177.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -57.51 -62.26 6.54 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.812 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.23 24.86 0.59 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.093 2.528 . . . . 0.0 113.321 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1048 ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' 1051 ' ' ASP . 21.6 mt -84.59 26.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.26 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.37 -27.81 67.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.74 0.781 . . . . 0.0 109.409 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.692 ' HB3' HG23 ' A' 1166 ' ' ILE . 62.3 mtt -78.11 -30.64 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.742 176.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1051 ' ' ASP . . . . . 0.541 ' HB2' HD22 ' A' 1048 ' ' LEU . 20.8 t70 -60.42 -41.38 93.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.393 -172.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 19.5 m -58.81 -39.57 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.461 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -76.09 -37.29 58.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.141 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.476 ' HB2' HG21 ' A' 1166 ' ' ILE . 64.3 tp -58.5 -40.6 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.784 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 41.6 t -56.95 -44.73 82.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 48.5 t -61.73 -46.99 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.341 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.581 HG13 HD12 ' A' 1159 ' ' LEU . 86.2 t -55.7 -49.1 76.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.059 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.8 -34.65 65.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.743 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.25 -45.74 31.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.637 0.256 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' 1064 ' ' LEU . 93.8 mt -57.91 -47.3 83.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.505 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' 1065 ' ' GLN . 8.1 pt-20 -61.71 -44.37 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.852 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.497 ' HA ' ' OE1' ' A' 1065 ' ' GLN . 65.1 mttp -64.72 -36.31 83.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' 1067 ' ' ILE . 30.5 t70 -60.4 -48.81 80.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.333 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' 1060 ' ' LEU . 17.1 mt -66.93 -25.44 66.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.0 mt-30 -67.55 -35.82 79.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.046 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.07 -39.24 60.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.153 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1063 ' ' ASP . 59.0 mt -66.26 -33.26 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.313 178.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1068 ' ' LYS . . . . . 0.592 ' HA ' HD12 ' A' 1152 ' ' LEU . 39.9 ttpt -65.18 -36.05 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.145 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1069 ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' 1072 ' ' ARG . . . -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.031 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1070 ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -60.42 -29.45 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.241 176.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.89 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' 1069 ' ' ALA . 0.0 OUTLIER -67.08 -36.48 82.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -178.474 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -78.18 -17.52 56.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.167 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 77.13 38.33 30.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.542 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1075 ' ' LYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 98.8 mttt -95.62 -6.7 39.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 1076 ' ' LEU . 38.7 mt -70.99 117.14 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.533 . . . . 0.0 111.213 -176.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.84 ' HB2' HD13 ' A' 1079 ' ' LEU . 30.9 mmmt -125.3 163.46 38.09 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.925 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -78.21 30.41 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.898 2.399 . . . . 0.0 112.587 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' 1077 ' ' LYS . 9.4 mp -50.95 -41.52 73.78 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.943 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -44.71 -40.99 14.7 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.176 1.917 . . . . 0.0 112.744 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 80.98 -3.08 78.16 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.314 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -88.19 151.5 22.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.714 0.293 . . . . 0.0 110.931 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 59.6 p -76.43 156.84 32.79 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.078 177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.4 ttm -63.65 -26.82 68.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.147 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' A' 1207 ' ' ARG . 39.5 mm-40 -61.51 -55.78 27.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -65.77 -38.88 90.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.829 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 70.9 m -60.57 -51.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.282 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 32.5 p -68.05 -39.12 83.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 111.057 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -64.4 -53.13 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.868 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.72 -28.51 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.763 HD23 HD11 ' A' 1203 ' ' LEU . 12.9 tp -61.38 -50.6 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -64.44 -40.08 97.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.158 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -64.42 -40.21 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.773 -0.251 . . . . 0.0 111.076 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.5 m -64.84 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.4 m -58.91 -49.39 77.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.45 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' 1092 ' ' GLY . 57.4 mttm -57.93 -42.39 84.75 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.54 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.572 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.489 ' HA ' ' HB3' ' A' 1101 ' ' ALA . 13.3 p -69.73 -22.83 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 29.8 t -58.65 -45.48 89.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.25 0.548 . . . . 0.0 110.19 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -74.46 -29.77 61.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.049 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -65.45 -50.76 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.465 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.54 -31.29 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.312 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.23 98.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 110.761 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -75.65 -24.3 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.17 -25.79 63.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.003 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' 1186 ' ' ALA . 8.7 mp -63.47 97.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 176.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -107.19 160.18 14.27 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.387 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -106.86 -45.14 4.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 6.9 tp -159.16 142.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.898 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -96.04 86.9 4.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.09 0.471 . . . . 0.0 109.889 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -98.06 -49.17 4.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.102 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 151.56 -16.55 0.85 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.804 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -92.79 -6.18 49.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.456 0.646 . . . . 0.0 109.503 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -93.97 108.41 20.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.217 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -86.86 -33.7 19.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.971 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -65.96 -27.72 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.277 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.88 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.37 -45.39 8.09 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.633 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -52.53 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.522 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' 1123 ' ' ASP . . . -71.39 -27.83 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.102 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.41 -40.49 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 110.299 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -34.02 47.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1123 ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' 1120 ' ' ALA . 27.9 t0 -65.06 -41.51 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.275 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' 1098 ' ' VAL . 24.5 m -63.9 -40.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.232 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -63.66 -36.2 83.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.48 -45.07 96.95 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.976 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1127 ' ' GLY . . . . . 0.404 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -65.95 -44.11 92.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.633 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.487 ' HG ' ' CB ' ' A' 1159 ' ' LEU . 0.2 OUTLIER -61.14 -47.17 87.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' 1133 ' ' GLN . 3.9 ptm180 -65.15 -38.13 89.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.609 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.0 m -70.2 -35.62 74.04 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.082 0.468 . . . . 0.0 109.941 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.452 HD13 HD11 ' A' 1091 ' ' LEU . 0.6 OUTLIER -58.06 -49.18 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.35 176.009 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.63 -45.76 88.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.562 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' 1129 ' ' ARG . 90.9 mt-30 -56.49 -48.33 77.39 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.14 0.495 . . . . 0.0 110.951 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.313 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.27 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' 1067 ' ' ILE . 23.9 mtp180 -59.61 -43.44 93.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.35 -51.2 60.23 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.208 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.38 -48.15 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.32 -36.46 84.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.703 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.88 63.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.273 0.559 . . . . 0.0 111.457 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1137 ' ' GLY . 91.5 mt -81.15 -35.71 31.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.106 -174.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.489 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -79.41 152.72 30.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.155 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 42.3 p -112.0 3.92 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 0.0 110.513 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' 1148 ' ' GLN . 8.0 m-20 -76.64 115.88 51.73 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.76 66.86 8.07 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.632 2.221 . . . . 0.0 112.833 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.38 -54.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.503 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' 1151 ' ' VAL . 18.5 m -60.42 -28.63 42.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 176.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.63 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.5 mt-30 -55.38 -52.46 63.47 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-O 121.2 0.524 . . . . 0.0 110.338 176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.39 -31.71 62.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.774 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.752 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' 1147 ' ' VAL . 4.3 p -68.39 -36.1 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.159 0.504 . . . . 0.0 110.568 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1148 ' ' GLN . 36.1 mt -76.86 -41.12 45.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.49 -48.13 82.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.615 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.516 ' O ' HG23 ' A' 1158 ' ' VAL . 17.2 p -66.16 -43.84 85.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.947 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.22 93.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.2 t -64.41 -30.2 71.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.497 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.04 -32.61 61.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' 1154 ' ' THR . 76.1 t -55.0 -57.53 6.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.451 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.581 HD12 HG13 ' A' 1057 ' ' VAL . 1.7 pt? -75.76 -29.48 58.85 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.289 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.53 -39.88 77.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.15 0.5 . . . . 0.0 110.096 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.703 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.2 mptt -66.63 -47.43 72.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.205 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.59 69.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.681 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 15.1 t -62.64 -43.67 98.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 41.9 m -61.83 -34.33 75.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.636 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' 1188 ' ' VAL . 3.6 mt -58.92 -49.86 76.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.266 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' 1050 ' ' MET . 68.7 mt -64.47 -49.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.049 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' 1170 ' ' LYS . 45.9 mt-10 -62.92 -48.19 80.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.487 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -68.26 -31.48 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.847 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.42 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.554 0.216 . . . . 0.0 111.116 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1170 ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' 1167 ' ' GLU . 20.6 pttm -70.25 -25.04 63.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.059 0.457 . . . . 0.0 110.276 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.774 ' HE2' ' HA ' ' A' 1171 ' ' LYS . 9.5 mmpt? -80.76 -42.14 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.106 0.479 . . . . 0.0 110.01 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.46 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.209 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 56.5 p -71.5 -14.01 61.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.021 0.438 . . . . 0.0 110.729 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -80.97 -7.78 88.2 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 66.7 m170 -88.27 155.03 51.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.29 40.7 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.911 2.407 . . . . 0.0 113.299 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 84.01 59.32 2.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.388 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.43 119.42 65.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.562 ' O ' ' HG3' ' A' 1183 ' ' GLN . 26.5 Cg_endo -62.06 -38.0 60.1 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.825 2.35 . . . . 0.0 112.731 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.15 -28.38 63.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.17 -174.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 23.3 m -63.11 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.109 0.481 . . . . 0.0 110.012 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.57 -38.28 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.096 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' 1179 ' ' PRO . 68.4 mt-30 -60.91 -37.38 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.859 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' 1188 ' ' VAL . 30.9 mtm-85 -67.78 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.78 -40.05 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.069 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1186 ' ' ALA . . . . . 0.448 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -64.5 -34.04 77.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.685 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' A' 1184 ' ' ARG . 52.8 mt-30 -65.78 -37.57 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1184 ' ' ARG . 8.9 t -70.78 -46.45 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.36 74.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.81 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.19 -39.24 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.617 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -67.92 -43.91 78.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' 1161 ' ' LYS . 76.2 t -58.03 -41.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.982 0.42 . . . . 0.0 110.209 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 17.8 m -59.89 -38.49 82.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.704 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.3 -36.07 61.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.413 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.622 ' HB3' HG23 ' A' 1095 ' ' THR . 74.6 mt -55.43 -52.26 64.17 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.91 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.48 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.8 t30 -61.92 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.016 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -60.93 -37.11 81.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.537 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 22.8 t -76.46 -49.53 16.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.0 m -66.98 -25.32 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.703 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.34 -34.74 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.168 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 27.5 p -81.45 -1.51 46.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.727 0.298 . . . . 0.0 111.388 -176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.763 HD11 HD23 ' A' 1091 ' ' LEU . 81.1 mt -63.83 132.41 95.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.01 93.24 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.295 1.997 . . . . 0.0 111.592 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -69.96 -27.62 72.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.518 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -81.73 115.48 20.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.426 ' HD3' ' OE2' ' A' 1085 ' ' GLU . 27.3 mtm180 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.732 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1041 ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' 1041 ' ' ILE . 21.7 pt -105.13 103.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.274 0.559 . . . . 0.0 110.901 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -70.36 -49.45 16.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.583 ' HG3' ' HA ' ' A' 1176 ' ' PRO . 73.7 Cg_endo -77.28 84.85 1.88 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.467 1.445 . . . . 0.0 110.537 169.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 46.0 p90 -85.41 17.22 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.357 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1045 ' ' THR . . . . . 0.463 ' HA ' ' HG3' ' A' 1114 ' ' GLU . 15.3 p -86.63 -95.0 0.09 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.705 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 53.54 60.4 8.3 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.655 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1047 ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' 1049 ' ' GLU . 55.2 Cg_endo -70.7 -36.54 8.15 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.265 1.977 . . . . 0.0 112.613 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 87.2 mt 70.99 -36.23 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.337 0.655 . . . . 0.0 112.242 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' 1047 ' ' PRO . 33.1 tt0 -54.45 -24.9 22.06 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.278 0.631 . . . . 0.0 111.972 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.0 mtt -55.9 -32.71 63.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.231 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1051 ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' 1054 ' ' LEU . 18.5 t70 -68.21 -34.96 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.802 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 8.2 t -69.72 -38.07 76.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.002 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -67.1 -35.17 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.254 0.55 . . . . 0.0 109.699 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.565 HD13 ' HB ' ' A' 1166 ' ' ILE . 56.7 tp -61.43 -36.71 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.8 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 68.1 m -55.34 -37.78 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.0 t -65.63 -45.32 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.005 176.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 43.1 t -63.08 -41.23 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.578 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 74.2 mt-30 -58.42 -39.22 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.227 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -68.65 -30.96 69.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 1056 ' ' VAL . 89.0 mt -75.25 -44.64 44.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.714 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.5 pt-20 -63.34 -38.38 90.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.743 0.306 . . . . 0.0 111.258 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.5 -25.95 62.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -71.39 -51.28 24.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.667 HD12 HD23 ' A' 1159 ' ' LEU . 15.7 mt -67.51 -27.85 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.332 -173.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -67.2 -35.97 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.762 0.315 . . . . 0.0 110.62 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.396 0.617 . . . . 0.0 110.208 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.614 HD13 ' HB3' ' A' 1136 ' ' ARG . 66.2 mt -66.14 -35.12 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.521 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -57.47 -45.51 84.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.477 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.16 82.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.92 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1071 ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -64.86 -40.2 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' 1072 ' ' ARG . 10.1 tpt180 -58.35 -54.04 51.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.594 176.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.73 -23.32 62.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.81 34.34 6.93 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.071 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -109.75 14.02 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' 1071 ' ' ALA . 58.3 mt -71.4 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.425 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 31.7 mmmt -83.28 103.99 3.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1077 ' ' LYS . 3.0 Cg_exo -72.67 -5.96 18.15 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.899 2.399 . . . . 0.0 113.194 -169.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.09 82.91 18.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.106 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -92.57 21.8 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.119 2.546 . . . . 0.0 112.702 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 83.1 -55.39 5.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.383 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.39 148.31 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.797 0.332 . . . . 0.0 110.414 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 24.3 p -87.45 166.37 14.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1084 ' ' MET . . . . . 0.62 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 49.7 ttm -66.41 -29.33 69.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 110.57 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.28 -34.35 77.92 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.879 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.81 -50.03 18.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.227 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1087 ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' 1084 ' ' MET . 4.8 p -69.52 -44.8 70.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 31.8 p -61.24 -38.22 85.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.239 0.542 . . . . 0.0 110.86 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.34 -44.89 70.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1090 ' ' ASP . . . . . 0.513 ' OD2' ' HB3' ' A' 1130 ' ' SER . 35.6 t70 -66.24 -32.59 74.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.957 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.908 HD23 HD11 ' A' 1203 ' ' LEU . 18.2 tp -59.55 -46.23 89.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.024 0.44 . . . . 0.0 110.026 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -63.92 -38.39 96.01 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.103 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1093 ' ' ASN . . . . . 0.562 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 96.5 m-20 -66.64 -43.22 85.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.679 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.546 ' O ' HG12 ' A' 1098 ' ' VAL . 16.2 m -61.9 -38.9 90.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.8 m -54.22 -54.65 37.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.489 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1096 ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 59.0 pttt -70.55 -36.9 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.48 -54.71 40.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.861 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' 1094 ' ' SER . 7.6 p -73.99 -23.31 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.021 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.2 m -69.78 -32.61 71.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.6 m -75.19 -29.91 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.538 . . . . 0.0 109.803 172.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.558 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -69.91 -46.2 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.242 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.26 -26.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.19 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.558 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 52.6 mtmt -69.68 -29.75 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.68 -33.29 74.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.05 35.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.189 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -65.16 138.98 39.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.242 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -132.53 -38.52 1.03 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -173.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 22.9 pt -112.93 13.45 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1110 ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' 1111 ' ' GLN . . . -133.32 -155.8 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1111 ' ' GLN . . . . . 0.526 HE22 ' HA ' ' A' 1114 ' ' GLU . 5.9 tp60 82.01 130.88 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.813 0.816 . . . . 0.0 111.75 175.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 174.4 50.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.202 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1113 ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' 1115 ' ' ASN . 9.4 p30 -172.12 -31.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.574 -171.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.526 ' HA ' HE22 ' A' 1111 ' ' GLN . 1.6 mp0 72.86 -19.89 0.29 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.24 174.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.536 ' O ' HG13 ' A' 1119 ' ' ILE . 46.4 t30 -64.29 -37.43 87.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.34 -35.59 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.726 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.413 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -66.23 -36.1 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.06 53.82 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.427 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1115 ' ' ASN . 66.6 mt -60.39 -45.83 96.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.582 0.229 . . . . 0.0 110.647 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.45 89.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.312 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -69.67 -29.07 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.389 0.614 . . . . 0.0 110.613 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -76.42 -26.16 55.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.783 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.27 -42.2 38.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.735 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.824 ' O ' ' HG ' ' A' 1128 ' ' LEU . 23.2 m -58.71 -45.16 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.655 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.76 -38.28 78.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.629 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.58 -47.18 92.06 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.076 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.7 -35.32 91.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.901 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.824 ' HG ' ' O ' ' A' 1124 ' ' VAL . 51.3 mt -71.7 -28.93 64.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.891 0.076 . . . . 0.0 111.119 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' 1125 ' ' ALA . 56.7 mtt-85 -59.02 -57.7 11.94 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.469 0.652 . . . . 0.0 109.834 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1130 ' ' SER . . . . . 0.513 ' HB3' ' OD2' ' A' 1090 ' ' ASP . 13.6 m -63.87 -38.39 90.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.588 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -54.72 -53.05 60.08 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.751 177.35 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.25 -52.0 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.395 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -58.85 -36.83 75.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.719 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1134 ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' 1138 ' ' VAL . . . -69.54 -44.66 70.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.908 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.84 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.405 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.614 ' HB3' HD13 ' A' 1067 ' ' ILE . 14.3 ptm180 -64.99 -34.51 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.245 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -63.31 -50.06 65.64 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.584 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 1134 ' ' ALA . 75.5 t -55.61 -47.64 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.083 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.3 93.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.422 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.61 -39.75 57.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 111.071 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.42 HD13 ' CA ' ' A' 1084 ' ' MET . 28.0 mt -61.59 -38.79 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.046 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' 1148 ' ' GLN . 8.5 t -78.04 135.5 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.626 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 m -98.84 21.49 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' 1148 ' ' GLN . 27.5 m-20 -108.67 110.31 61.3 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.427 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.66 71.65 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.496 2.797 . . . . 0.0 112.496 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.15 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.494 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.611 HG23 HG21 ' A' 1142 ' ' THR . 26.8 m -69.05 -24.03 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.17 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.653 ' HG2' HG23 ' A' 1142 ' ' THR . 58.6 mt-30 -57.9 -50.36 73.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.377 0.608 . . . . 0.0 110.205 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.29 64.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -39.28 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.601 -175.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' 1147 ' ' VAL . 3.2 p -68.57 -34.57 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.027 0.441 . . . . 0.0 110.633 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.8 mt -77.76 -42.6 33.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 110.646 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.55 -37.94 85.62 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.335 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1154 ' ' THR . . . . . . . . . . . . . 11.3 p -71.8 -39.31 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.933 0.397 . . . . 0.0 110.999 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.67 68.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.128 0.49 . . . . 0.0 110.597 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1156 ' ' SER . . . . . 0.427 ' HA ' HD21 ' A' 1159 ' ' LEU . 8.8 t -60.54 -34.19 73.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.582 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -68.91 -39.86 79.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.214 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 64.9 t -57.03 -55.0 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.684 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' 1061 ' ' GLU . 4.3 pp -64.15 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.981 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.455 ' N ' HD12 ' A' 1159 ' ' LEU . 14.5 t70 -61.55 -52.95 62.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -74.05 -29.94 62.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.74 73.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.64 0.257 . . . . 0.0 111.628 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 24.3 m -59.96 -47.47 85.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1164 ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' 1168 ' ' GLU . 24.4 p -68.99 -22.63 64.08 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.652 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -66.28 -49.37 67.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1166 ' ' ILE . . . . . 0.565 ' HB ' HD13 ' A' 1054 ' ' LEU . 55.7 mt -64.41 -46.82 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.531 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' 1170 ' ' LYS . 2.5 mm-40 -60.96 -38.3 85.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1164 ' ' SER . 7.1 tp10 -58.38 -50.03 75.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.042 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.99 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1170 ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' 1167 ' ' GLU . 54.2 mtpt -55.74 -51.0 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.218 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -75.37 -30.6 60.24 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.464 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.25 86.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.118 0.485 . . . . 0.0 110.59 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 15.4 t -69.06 -17.5 63.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.58 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -98.34 10.61 63.35 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.535 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.448 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 32.7 m80 -99.04 122.99 50.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.583 ' HA ' ' HG3' ' A' 1043 ' ' PRO . 17.0 Cg_exo -68.15 -2.22 8.51 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.155 2.57 . . . . 0.0 112.821 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 148.96 86.72 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.884 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.65 114.89 18.05 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.809 0.337 . . . . 0.0 110.523 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.6 -28.73 31.14 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.795 2.33 . . . . 0.0 112.723 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' 1184 ' ' ARG . 43.7 mt-10 -74.45 -38.0 63.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 110.177 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 40.8 t -57.99 -38.01 75.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.584 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.27 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -71.46 -40.25 70.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.424 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' 1180 ' ' GLU . 4.1 mmp_? -55.34 -54.11 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.043 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.13 -37.93 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.42 67.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.332 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.68 -38.6 73.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.687 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.652 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.6 p -67.23 -34.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1189 ' ' ALA . . . . . 0.433 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -68.12 -46.23 71.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.255 0.55 . . . . 0.0 110.323 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1194 ' ' GLN . 54.2 tptt -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.222 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.745 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.638 HG21 HD12 ' A' 1165 ' ' LEU . 78.3 t -59.81 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1193 ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' 1196 ' ' LEU . 31.9 m -66.04 -30.06 70.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1194 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1190 ' ' LYS . 24.5 mm-40 -64.49 -42.12 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.092 0.473 . . . . 0.0 109.941 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.24 75.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.611 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.896 ' HB3' HG23 ' A' 1095 ' ' THR . 67.8 mt -55.57 -50.98 68.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.288 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1197 ' ' ASN . . . . . 0.457 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.4 t30 -63.28 -32.55 74.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -66.73 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.788 0.327 . . . . 0.0 110.491 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.5 t -73.35 -47.81 39.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.799 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' 1197 ' ' ASN . 32.7 m -68.08 -21.91 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.381 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 34.9 t -77.14 -34.22 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.856 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 26.6 p -86.21 -1.07 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.908 HD11 HD23 ' A' 1091 ' ' LEU . 70.3 mt -66.49 144.57 98.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.32 125.13 17.89 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.152 1.901 . . . . 0.0 110.588 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -58.51 -41.3 95.36 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 113.226 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' 1207 ' ' ARG . 5.2 tp-100 68.85 158.27 0.16 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.225 0.61 . . . . 0.0 111.353 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' 1206 ' ' GLN . 16.2 ptt-85 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.536 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 10.3 tt -125.16 135.56 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.303 0.573 . . . . 0.0 110.687 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -129.96 91.4 39.77 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.754 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1043 ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' 1047 ' ' PRO . 23.7 Cg_exo -64.77 147.91 89.88 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.829 2.352 . . . . 0.0 111.822 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 48.2 p90 -80.77 -2.31 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.833 0.825 . . . . 0.0 110.134 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 11.3 t -98.05 -5.87 33.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' A' 1049 ' ' GLU . . . -83.14 -81.84 0.95 Allowed Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.619 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1047 ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' 1043 ' ' PRO . 39.7 Cg_exo -62.08 162.41 22.93 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.638 2.226 . . . . 0.0 111.58 173.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1048 ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' 1051 ' ' ASP . 70.0 mt 60.8 42.67 13.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.664 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1049 ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' 1046 ' ' GLY . 2.4 mp0 -52.13 -57.64 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.903 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.464 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 63.2 mtt -77.55 -34.98 53.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.325 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1051 ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' A' 1048 ' ' LEU . 12.7 t70 -59.62 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.042 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 21.7 m -68.89 -29.03 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.3 70.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.096 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' 1058 ' ' GLN . 61.3 tp -56.91 -43.98 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.517 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.7 m -53.48 -39.63 64.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' A' 1060 ' ' LEU . 47.0 t -64.72 -45.28 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 47.7 t -63.24 -39.29 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.564 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' 1062 ' ' LYS . 97.3 mt-30 -63.31 -34.09 76.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -72.88 -31.85 64.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' 1129 ' ' ARG . 97.3 mt -61.97 -52.0 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' 1159 ' ' LEU . 4.9 pt-20 -61.05 -41.56 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.716 0.293 . . . . 0.0 111.536 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1058 ' ' GLN . 53.9 mttm -71.28 -33.27 69.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.54 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -40.23 84.08 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 109.946 172.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.9 mt -63.75 -30.17 71.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.989 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' 1061 ' ' GLU . 78.3 mt-30 -59.98 -43.69 94.95 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.321 0.388 . . . . 0.0 111.07 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.625 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.594 ' HB ' ' HE ' ' A' 1136 ' ' ARG . 11.2 mt -75.71 -32.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.379 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -62.68 -46.08 89.83 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.04 73.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.623 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.38 75.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.727 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.8 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 110.694 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1072 ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' 1072 ' ' ARG . 3.6 tmt_? -72.41 -44.37 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.02 -33.46 68.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.022 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 98.98 45.89 2.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.6 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -127.62 25.36 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.758 -0.221 . . . . 0.0 111.249 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.94 144.45 56.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.996 0.427 . . . . 0.0 110.606 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 11.6 mmmm -111.79 111.67 53.92 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.781 -173.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1077 ' ' LYS . 1.0 OUTLIER -85.21 22.42 0.95 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.195 2.597 . . . . 0.0 111.744 179.11 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.664 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 60.6 mt -94.26 -56.54 0.22 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.98 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 73.7 Cg_endo -77.68 113.78 3.55 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.638 1.559 . . . . 0.0 111.94 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 128.74 -12.75 6.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.977 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 63.99 -149.83 0.3 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.718 0.305 . . . . 0.0 110.667 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.9 p -73.84 168.58 19.14 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.1 tpp -54.83 -32.65 60.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.202 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.92 -47.85 67.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.902 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -76.86 -45.42 28.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 73.2 m -55.51 -46.42 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.533 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 36.6 p -70.7 -35.35 72.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.281 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.42 -32.86 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.037 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.498 HD12 HD22 ' A' 1131 ' ' LEU . 23.1 tp -60.42 -49.44 77.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.78 175.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.67 95.94 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.34 177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -57.66 -47.54 82.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.486 ' O ' HG12 ' A' 1098 ' ' VAL . 19.3 m -64.15 -37.09 86.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1095 ' ' THR . . . . . 0.899 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.5 m -56.94 -53.18 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.083 0.468 . . . . 0.0 110.247 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -62.07 -35.62 79.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.51 -61.95 2.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.632 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.505 HG21 HD21 ' A' 1128 ' ' LEU . 5.9 p -72.01 -26.81 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.615 -175.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.4 t -63.09 -37.22 86.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.199 0.523 . . . . 0.0 110.087 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1100 ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' 1104 ' ' LYS . 44.8 m -74.64 -25.39 59.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.449 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.481 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -76.11 -44.18 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.439 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.7 pt -64.57 -25.21 37.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.421 . . . . 0.0 110.793 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.18 -32.15 71.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.649 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 57.9 mttm -73.59 -35.56 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.76 -46.86 87.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.564 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 82.9 mt -71.27 -45.19 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 62.94 -113.68 6.13 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.536 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1108 ' ' GLU . . . . . 0.797 ' HG3' HG12 ' A' 1109 ' ' ILE . 13.4 pt-20 -92.46 -27.13 17.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.686 0.279 . . . . 0.0 111.038 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.797 HG12 ' HG3' ' A' 1108 ' ' GLU . 5.1 pt -141.47 -96.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.414 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1110 ' ' ALA . . . . . 0.856 ' HB2' ' HA ' ' A' 1182 ' ' GLN . . . -120.94 2.37 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.378 0.609 . . . . 0.0 110.18 177.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -152.46 110.6 3.68 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.529 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1112 ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' 1116 ' ' TYR . . . -83.77 56.4 5.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.029 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1113 ' ' ASN . . . . . 0.405 ' HB3' ' HD1' ' A' 1116 ' ' TYR . 60.3 t30 72.32 153.32 0.13 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.39 0.676 . . . . 0.0 110.966 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.07 -40.93 82.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.995 -170.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' 1119 ' ' ILE . 31.9 t-20 -69.39 -50.4 46.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -175.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1116 ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' 1112 ' ' GLY . 76.7 m-85 -64.22 -27.24 68.92 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.565 -174.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.45 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.057 0.456 . . . . 0.0 110.726 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1118 ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -80.27 -36.34 24.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.364 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' 1115 ' ' ASN . 35.6 mt -65.6 -47.69 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.977 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -72.45 -29.27 63.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.421 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1121 ' ' ALA . . . . . 0.464 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.02 -37.99 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -79.35 -24.93 42.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 109.992 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1123 ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 6.3 t70 -72.73 -43.94 62.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.727 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -60.83 -43.35 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.92 -46.08 88.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.17 -40.44 99.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.422 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.98 94.96 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' 1124 ' ' VAL . 66.6 mt -69.43 -29.05 66.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.451 0.167 . . . . 0.0 111.323 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.734 ' HG2' HD21 ' A' 1060 ' ' LEU . 50.3 mtp180 -62.09 -53.55 53.83 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.208 0.528 . . . . 0.0 109.934 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1130 ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' 1133 ' ' GLN . 22.2 m -65.89 -33.91 76.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.842 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.498 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -58.78 -49.36 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -65.67 -40.65 92.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1133 ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' 1130 ' ' SER . 4.2 pt20 -64.23 -36.92 85.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.64 -42.7 67.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.643 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.82 76.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.62 ' HD3' HD22 ' A' 1152 ' ' LEU . 16.6 mmt-85 -68.79 -36.8 78.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.013 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1137 ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.99 -45.06 94.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.646 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' 1142 ' ' THR . 83.6 t -53.96 -49.91 56.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.296 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' 1152 ' ' LEU . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.861 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.04 77.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.1 0.476 . . . . 0.0 110.77 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1137 ' ' GLY . 90.3 mt -75.2 -42.37 55.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.975 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.445 HG22 ' O ' ' A' 1138 ' ' VAL . 3.8 t -65.56 -46.72 78.41 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.331 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 50.7 m 64.61 10.3 5.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.689 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.2 t70 -85.73 117.84 69.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 O-C-N 122.371 -0.206 . . . . 0.0 110.6 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 12.2 Cg_exo -70.46 66.96 2.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.803 2.335 . . . . 0.0 112.267 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.21 -60.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.98 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 34.9 m -70.73 -24.76 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.791 ' O ' ' HG ' ' A' 1152 ' ' LEU . 54.2 mt-30 -57.37 -51.81 67.9 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.802 0.334 . . . . 0.0 110.314 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.59 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.694 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' 1150 ' ' ILE . 0.8 OUTLIER -72.43 -46.86 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.778 -175.617 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -68.02 -29.77 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.383 0.611 . . . . 0.0 111.029 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' 1148 ' ' GLN . 23.9 mt -77.56 -40.71 41.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.102 0.477 . . . . 0.0 109.782 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.48 -43.35 97.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.379 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.587 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 10.4 p -63.6 -45.82 88.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.979 0.175 . . . . 0.0 111.181 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -56.18 -43.11 78.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 111.018 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -37.57 74.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.046 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.4 -37.02 81.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' 1154 ' ' THR . 96.9 t -58.9 -53.64 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.008 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.559 ' CD1' ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -69.43 -30.53 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.059 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' 1159 ' ' LEU . 0.5 OUTLIER -57.63 -44.65 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.517 175.2 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1161 ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.4 mptt -68.66 -43.45 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.42 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.722 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 27.7 t -62.14 -44.02 97.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -62.84 -39.24 93.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.264 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.54 -47.34 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.17 -44.97 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.462 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.35 -40.6 89.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.386 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1168 ' ' GLU . . . . . 0.451 ' OE2' ' HD3' ' A' 1184 ' ' ARG . 28.4 tp10 -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.087 176.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.69 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.815 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.56 -30.25 70.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -76.1 -38.48 56.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.575 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.95 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.927 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 8.0 t -59.0 117.56 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.873 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 121.28 -9.36 10.18 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.8 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 30.3 m-70 -103.7 124.39 38.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1176 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 20.7 Cg_exo -66.53 -10.21 27.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.006 2.471 . . . . 0.0 113.027 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 153.61 80.76 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.607 ' O ' ' HG3' ' A' 1182 ' ' GLN . 33.6 t70 -105.14 119.76 52.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' 1183 ' ' GLN . 10.9 Cg_endo -54.44 -43.9 54.48 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.145 2.563 . . . . 0.0 112.726 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' 1184 ' ' ARG . 44.7 mt-10 -66.03 -43.15 88.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.439 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 23.0 t -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.519 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.856 ' HA ' ' HB2' ' A' 1110 ' ' ALA . 82.6 mt-30 -65.24 -43.17 92.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.083 176.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1179 ' ' PRO . 54.2 mt-30 -64.02 -37.89 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.538 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' 1180 ' ' GLU . 89.0 mtt180 -52.21 -52.79 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.617 HD12 ' HB1' ' A' 1110 ' ' ALA . 69.0 mt -72.82 -38.26 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.964 -177.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.02 94.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.446 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.6 mt-30 -72.54 -40.46 66.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' 1192 ' ' VAL . 10.3 p -70.8 -34.93 58.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.718 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 109.999 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' 1194 ' ' GLN . 63.0 tttm -62.33 -38.32 89.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.77 175.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.32 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.772 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' 1161 ' ' LYS . 59.9 t -56.19 -44.16 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.2 0.524 . . . . 0.0 109.932 175.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 21.8 m -60.82 -40.74 93.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.858 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1194 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 1190 ' ' LYS . 28.8 mm-40 -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.93 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' 1095 ' ' THR . 84.4 mt -58.48 -46.14 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.963 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.61 -37.58 86.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.655 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -65.99 -28.4 68.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.355 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1199 ' ' CYS . . . . . 0.587 ' SG ' ' HB ' ' A' 1154 ' ' THR . 90.9 m -69.0 -48.9 61.93 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.363 0.601 . . . . 0.0 109.909 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.5 m -73.94 -21.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 27.8 t -77.93 -40.01 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.064 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -76.06 -1.48 26.14 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1203 ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.05 131.95 74.24 Favored Pre-proline 0 C--O 1.233 0.199 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.898 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -40.03 101.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.374 3.383 . . . . 0.0 114.185 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . 68.08 -74.62 0.26 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.894 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -164.84 137.08 4.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.424 ' HG3' ' OXT' ' A' 1207 ' ' ARG . 7.4 ptm180 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.588 177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1041 ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' 1042 ' ' ASP . 28.9 pt -91.92 -42.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1042 ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' 1041 ' ' ILE . 19.7 m-20 49.83 88.72 0.11 Allowed Pre-proline 0 C--O 1.235 0.339 0 O-C-N 124.13 0.893 . . . . 0.0 111.902 176.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.43 152.76 30.44 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.0 112.985 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -101.41 27.0 6.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.075 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 13.5 p -76.42 -16.29 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.544 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.95 1.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.913 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.72 156.62 48.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.334 2.023 . . . . 0.0 111.598 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1048 ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' 1048 ' ' LEU . 3.3 mm? -72.73 152.39 41.67 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 121.098 0.475 . . . . 0.0 110.026 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.2 -35.32 67.14 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.699 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1050 ' ' MET . . . . . 0.55 ' CE ' ' HB1' ' A' 1117 ' ' ALA . 62.8 mtt -60.13 -33.49 72.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.516 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.24 -46.45 61.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 13.7 t -65.5 -43.21 90.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.073 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1053 ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' 1057 ' ' VAL . . . -59.66 -49.29 78.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.014 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1054 ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' 1058 ' ' GLN . 49.6 tp -59.19 -36.0 74.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 31.8 t -63.42 -44.82 93.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.521 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.3 m -71.27 -30.68 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.235 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1057 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1053 ' ' ALA . 47.5 t -66.98 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.151 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1058 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1054 ' ' LEU . 97.9 mt-30 -64.6 -32.7 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.231 0.538 . . . . 0.0 110.859 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -76.32 -25.44 54.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1060 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1056 ' ' VAL . 93.7 mt -75.34 -46.82 30.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -57.93 -44.41 86.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.036 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' 1066 ' ' GLU . 96.9 mttt -61.07 -38.69 87.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.303 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1063 ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' 1067 ' ' ILE . 18.8 t70 -63.89 -46.59 84.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.176 0.512 . . . . 0.0 110.049 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1064 ' ' LEU . . . . . 0.688 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.6 mt -69.04 -31.99 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.448 -175.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1065 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1061 ' ' GLU . 10.3 mm100 -68.01 -30.3 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.619 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1066 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1062 ' ' LYS . 48.5 mt-10 -68.52 -43.53 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1067 ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' 1064 ' ' LEU . 52.5 mt -63.17 -39.1 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.224 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.14 -43.79 92.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.417 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.34 87.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.724 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.41 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.124 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.54 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 111.075 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.76 -46.9 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.86 -47.31 75.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.038 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 111.29 31.46 2.82 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.598 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -118.44 25.47 10.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.52 142.65 48.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 111.101 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.758 ' H ' ' HD3' ' A' 1078 ' ' PRO . 74.8 mmtt -112.86 -12.04 0.11 Allowed Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1078 ' ' PRO . . . . . 0.758 ' HD3' ' H ' ' A' 1077 ' ' LYS . 1.8 Cg_endo -81.9 21.89 0.9 Allowed 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 122.016 1.811 . . . . 0.0 111.267 178.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.767 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 70.1 mt -51.75 -54.81 35.96 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.157 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1080 ' ' PRO . . . . . 0.767 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 93.9 Cg_endo -90.68 158.95 4.25 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.084 1.856 . . . . 0.0 112.41 178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 137.35 -98.74 0.28 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.854 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -93.49 -177.82 4.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.965 0.412 . . . . 0.0 110.956 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 22.8 p -104.13 168.55 9.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1084 ' ' MET . . . . . 0.668 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 48.2 tpp -68.2 -28.35 67.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.541 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.04 -55.05 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.037 175.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.13 -51.71 65.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.247 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1087 ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' 1084 ' ' MET . 6.8 p -63.28 -44.09 96.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1088 ' ' THR . . . . . 0.424 HG22 HD22 ' A' 1203 ' ' LEU . 40.6 p -65.44 -38.29 89.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.812 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.38 -49.01 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.322 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.28 -31.82 73.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.234 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1091 ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' 1203 ' ' LEU . 19.8 tp -61.73 -48.9 78.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.913 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1092 ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.89 -41.02 98.89 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.043 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.67 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.54 0.21 . . . . 0.0 110.898 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1094 ' ' SER . . . . . 0.523 ' O ' HG12 ' A' 1098 ' ' VAL . 32.1 m -67.9 -36.19 79.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 0.0 110.098 175.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1095 ' ' THR . . . . . 1.02 HG23 ' HB3' ' A' 1196 ' ' LEU . 63.3 m -57.26 -57.52 12.27 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -64.6 -34.82 79.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -57.3 -61.29 2.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1098 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 1094 ' ' SER . 7.3 p -70.86 -28.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.138 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 33.8 t -64.36 -37.98 89.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.243 0.544 . . . . 0.0 110.107 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.8 t -72.14 -35.16 69.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.134 0.493 . . . . 0.0 109.956 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1101 ' ' ALA . . . . . 0.417 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -69.21 -40.36 78.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 28.0 pt -64.74 -26.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.889 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.88 -29.41 69.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.723 0.297 . . . . 0.0 110.617 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1104 ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' 1116 ' ' TYR . 14.3 mptt -75.68 -40.32 56.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.618 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1105 ' ' LEU . . . . . 0.477 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 40.6 mt -61.07 -34.97 75.75 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1106 ' ' LEU . . . . . 0.68 ' HG ' ' HB3' ' A' 1185 ' ' LEU . 11.0 mp -78.14 79.02 4.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.519 171.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -82.93 -109.48 0.48 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.692 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1108 ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' 1182 ' ' GLN . 16.3 pt-20 -162.11 165.71 26.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 22.6 pt -95.59 -168.77 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 61.28 75.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.476 0.485 . . . . 0.0 109.828 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 60.94 91.38 0.06 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.24 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -86.25 152.49 25.6 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.245 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -84.55 110.3 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.725 0.298 . . . . 0.0 110.201 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.07 -27.55 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.71 -176.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1115 ' ' ASN . . . . . 0.443 ' O ' HG13 ' A' 1119 ' ' ILE . 93.4 m-20 -71.37 -44.9 64.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.278 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1116 ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' 1104 ' ' LYS . 1.7 t80 -59.18 -47.51 85.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1117 ' ' ALA . . . . . 0.55 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -61.73 -38.45 87.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.888 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.65 -50.58 58.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.252 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1119 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 1115 ' ' ASN . 73.5 mt -57.31 -45.87 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.538 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1120 ' ' ALA . . . . . 0.477 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -65.09 -38.08 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.81 85.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.058 0.456 . . . . 0.0 110.917 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1122 ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' 1122 ' ' ARG . 43.5 ttp180 -75.12 -33.15 61.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 110.212 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1123 ' ' ASP . . . . . 0.417 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.1 t70 -69.63 -45.5 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.784 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.6 ' O ' HD22 ' A' 1128 ' ' LEU . 23.2 m -60.79 -39.37 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.946 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1125 ' ' ALA . . . . . 0.595 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -57.65 -46.63 83.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.86 -37.37 93.6 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.855 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.79 -43.87 98.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.159 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1128 ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' 1124 ' ' VAL . 0.1 OUTLIER -63.21 -38.77 92.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.514 0.197 . . . . 0.0 111.113 179.125 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1129 ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' 1125 ' ' ALA . 29.3 mtm180 -59.82 -54.14 49.76 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.168 0.508 . . . . 0.0 109.916 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.7 m -59.57 -42.45 92.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1131 ' ' LEU . . . . . 0.411 HD22 HD12 ' A' 1091 ' ' LEU . 1.1 tm? -58.16 -49.93 75.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.776 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1132 ' ' ALA . . . . . 0.688 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.358 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.51 -41.11 96.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.171 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.1 74.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.868 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.86 80.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.736 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1136 ' ' ARG . . . . . 0.497 ' HE ' HD11 ' A' 1067 ' ' ILE . 7.8 ptm180 -66.07 -24.5 66.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.398 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -73.6 -49.22 15.13 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.377 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1138 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 1087 ' ' CYS . 53.5 t -53.6 -48.65 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 122.402 0.281 . . . . 0.0 111.306 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.4 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.675 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1140 ' ' ALA . . . . . 0.533 ' HB1' ' C ' ' A' 1078 ' ' PRO . . . -72.46 -46.0 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 110.826 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1141 ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' 1079 ' ' LEU . 86.0 mt -67.34 -38.39 84.77 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.783 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1142 ' ' THR . . . . . 0.462 HG21 HG23 ' A' 1147 ' ' VAL . 12.6 t -75.12 150.93 38.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 26.7 m -114.1 4.25 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.723 0.297 . . . . 0.0 110.978 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1144 ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' 1148 ' ' GLN . 14.1 t70 -80.33 115.61 55.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -76.12 66.59 6.95 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.1 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.53 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.497 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 26.9 m -67.05 -25.83 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.108 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.586 ' O ' ' HG ' ' A' 1152 ' ' LEU . 91.7 mt-30 -52.83 -53.96 41.16 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.242 0.544 . . . . 0.0 110.839 177.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.84 68.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1150 ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -72.75 -36.27 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.78 -174.195 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.29 -35.61 68.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.175 0.512 . . . . 0.0 110.445 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.9 mt -75.27 -42.28 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.371 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.41 -46.48 80.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1154 ' ' THR . . . . . 0.518 ' O ' HG23 ' A' 1158 ' ' VAL . 11.6 p -68.62 -41.01 80.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.2 0.524 . . . . 0.0 110.834 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -66.45 -32.98 74.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.836 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.08 -36.85 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1158 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 1154 ' ' THR . 75.5 t -57.0 -56.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.817 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -67.43 -30.36 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.874 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1160 ' ' ASP . . . . . 0.516 ' N ' HD12 ' A' 1159 ' ' LEU . 31.9 t70 -56.49 -48.4 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.2 mptt -76.18 -33.82 59.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1162 ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.34 -39.32 86.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 111.141 178.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.507 ' O ' ' HG3' ' A' 1167 ' ' GLU . 41.9 m -59.81 -52.1 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.025 176.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 27.0 m -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1165 ' ' LEU . . . . . 0.57 HD22 HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -66.04 -53.17 41.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.79 -44.44 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.453 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1167 ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' 1171 ' ' LYS . 53.2 mt-10 -60.5 -47.32 86.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -59.13 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.655 0.264 . . . . 0.0 110.609 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.83 73.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.049 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.454 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1171 ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' 1167 ' ' GLU . 27.3 mtpt -67.92 -32.52 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.628 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.2 m -65.17 -25.32 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.239 0.542 . . . . 0.0 110.211 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -98.31 13.45 63.05 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1175 ' ' HIS . . . . . 0.604 ' HB3' ' HB3' ' A' 1178 ' ' ASP . 9.0 m170 -129.22 63.68 68.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 122.477 0.311 . . . . 0.0 110.755 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.28 -14.01 28.3 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.046 1.831 . . . . 0.0 112.283 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -122.65 30.96 4.96 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1178 ' ' ASP . . . . . 0.604 ' HB3' ' HB3' ' A' 1175 ' ' HIS . 25.5 t0 -117.54 104.02 50.19 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 0.0 110.424 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1179 ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' 1178 ' ' ASP . 27.5 Cg_endo -62.57 -31.57 79.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.664 2.242 . . . . 0.0 112.111 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1180 ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' 1184 ' ' ARG . 43.4 mt-10 -71.66 -20.76 61.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.299 -178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 49.3 m -59.36 -35.84 74.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.651 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1182 ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' 1108 ' ' GLU . 30.9 mm-40 -67.85 -47.08 69.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.231 176.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1183 ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' 1187 ' ' GLN . 6.4 tm0? -57.04 -45.76 82.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1184 ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' 1180 ' ' GLU . 57.7 mtt85 -65.41 -43.25 91.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1185 ' ' LEU . . . . . 0.68 ' HB3' ' HG ' ' A' 1106 ' ' LEU . 53.6 mt -56.97 -44.27 82.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.55 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.228 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1187 ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.8 mt-30 -66.1 -50.65 63.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1188 ' ' VAL . . . . . 0.57 HG13 HD22 ' A' 1165 ' ' LEU . 7.9 p -70.77 -38.36 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.405 -175.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.18 86.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1190 ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' 1190 ' ' LYS . 12.3 tppt? -65.68 -39.78 91.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.731 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.957 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1188 ' ' VAL . 67.9 t -62.07 -47.12 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.434 . . . . 0.0 109.97 175.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 25.7 m -61.44 -38.25 86.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.107 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.29 -45.2 73.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.35 95.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1196 ' ' LEU . . . . . 1.02 ' HB3' HG23 ' A' 1095 ' ' THR . 76.2 mt -55.1 -50.11 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.949 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.17 -43.3 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.87 -24.88 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.746 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 19.6 t -73.15 -49.09 30.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1200 ' ' VAL . . . . . 0.559 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 16.3 m -70.51 -21.92 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.539 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 69.6 m -70.55 -25.43 63.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.605 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1202 ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 95.0 m -86.49 -5.19 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.499 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1203 ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' 1200 ' ' VAL . 74.2 mt -62.25 127.58 89.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1204 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 3.3 Cg_exo -79.05 134.9 11.97 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.263 2.642 . . . . 0.0 112.014 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -81.2 74.42 2.44 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.367 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 34.28 81.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.505 1.122 . . . . 0.0 113.037 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.258 -177.506 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' 1118 ' ' GLY . 61.8 mm-40 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.544 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.8 mtt -65.6 -44.44 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.62 -40.06 94.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.259 0.552 . . . . 0.0 110.162 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 22.1 m -64.93 -39.21 93.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.655 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.95 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.732 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.34 -43.94 83.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.9 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 38.8 m -57.78 -41.32 81.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.594 ' O ' ' HG ' ' A' 1060 ' ' LEU . 60.5 t -61.58 -46.45 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.615 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.3 t -65.84 -38.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' 1061 ' ' GLU . 98.5 mt-30 -67.78 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 177.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -76.62 -27.93 55.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.381 172.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.684 HD21 ' HG2' ' A' 1129 ' ' ARG . 78.9 mt -69.25 -43.88 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' 1065 ' ' GLN . 1.5 pt-20 -59.98 -43.84 94.86 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.278 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -71.92 -26.18 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.07 -49.76 73.23 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.578 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.4 mt -75.0 -21.44 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1061 ' ' GLU . 13.0 mm100 -57.44 -46.62 83.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.037 0.446 . . . . 0.0 110.367 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.42 -36.65 84.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.136 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' 1064 ' ' LEU . 81.4 mt -71.72 -37.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.384 -177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 56.8 mttm -55.68 -51.79 66.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.462 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.74 94.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.553 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -63.43 -46.29 87.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.151 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.641 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' 1072 ' ' ARG . 0.6 OUTLIER -59.81 -42.94 94.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.1 176.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.986 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.19 29.78 2.9 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.936 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . 0.582 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 60.2 mttp -90.09 -84.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' 1140 ' ' ALA . 24.2 mt . . . . . 0 CA--C 1.533 0.291 0 O-C-N 123.509 0.506 . . . . 0.0 112.278 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.865 0.364 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 51.2 ttm -59.15 -34.22 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.294 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.13 -38.14 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.686 0.279 . . . . 0.0 110.85 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -77.22 -40.38 45.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.744 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.0 m -65.4 -41.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.105 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . 0.498 HG22 HD13 ' A' 1203 ' ' LEU . 24.8 p -71.33 -33.31 69.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -67.71 -45.11 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.077 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.7 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.73 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.713 HD23 HD11 ' A' 1203 ' ' LEU . 21.4 tp -59.06 -45.64 90.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.574 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.451 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -61.54 -42.1 99.7 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.924 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.29 -42.24 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.527 0.203 . . . . 0.0 110.681 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 43.2 m -58.14 -41.26 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.969 0.414 . . . . 0.0 110.158 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' 1196 ' ' LEU . 81.3 m -56.82 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.823 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1092 ' ' GLY . 61.9 mttm -65.38 -33.33 75.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.23 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.405 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.5 p -71.24 -23.56 23.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.969 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 70.4 m -64.93 -33.23 75.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.181 0.515 . . . . 0.0 110.189 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.37 -32.9 60.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.734 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.55 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.665 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' 1106 ' ' LEU . 38.6 pt -64.41 -30.69 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.925 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.77 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.147 0.498 . . . . 0.0 110.57 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -75.1 -32.48 61.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.407 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.16 -38.08 69.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 110.517 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' 1189 ' ' ALA . 4.6 mm? . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 CA--C 1.515 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . 0.544 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -51.17 -43.12 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.065 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' 1049 ' ' GLU . . . -75.6 -40.74 31.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.233 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.79 -42.17 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.339 . . . . 0.0 111.009 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.91 74.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.662 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.73 -33.74 76.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.164 0.507 . . . . 0.0 110.403 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -71.79 -36.26 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.182 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.68 -40.3 80.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.301 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -63.65 -43.84 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.616 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.53 84.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.832 0.348 . . . . 0.0 110.993 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.23 -42.07 99.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.391 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . 0.466 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -64.43 -38.2 95.48 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.952 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' 1124 ' ' VAL . 63.6 mt -68.81 -35.67 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.556 0.217 . . . . 0.0 110.961 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.684 ' HG2' HD21 ' A' 1060 ' ' LEU . 33.6 mtp180 -61.84 -51.29 68.82 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.197 0.523 . . . . 0.0 110.0 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.5 t -57.88 -40.42 80.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.296 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.48 HD22 HD12 ' A' 1091 ' ' LEU . 1.7 tm? -59.97 -56.27 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.952 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.578 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.4 -41.71 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.935 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.5 -37.66 87.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.595 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.76 68.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.663 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . 0.403 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -64.32 -45.97 85.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.481 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.52 ' HD2' HD13 ' A' 1067 ' ' ILE . 35.2 ptt180 -67.95 -25.57 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.627 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.4 -45.13 70.57 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 55.9 t -54.63 -46.45 72.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -63.9 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.428 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.19 -26.76 56.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.459 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.4 mt -80.8 -36.87 31.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.348 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.409 HG21 HG23 ' A' 1147 ' ' VAL . 9.9 t -80.77 150.43 29.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.196 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 32.2 p -109.7 4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.736 0.303 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -85.87 112.95 48.76 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.55 67.05 5.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.096 2.53 . . . . 0.0 111.931 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.43 -55.48 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.207 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' 1151 ' ' VAL . 29.8 m -69.4 -27.25 33.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.52 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.3 mt-30 -57.38 -46.04 83.82 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 177.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.74 62.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -38.65 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.511 -175.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -71.15 -33.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -78.15 -41.59 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.266 0.555 . . . . 0.0 110.207 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.7 -45.31 85.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.297 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.558 ' O ' HG23 ' A' 1158 ' ' VAL . 9.4 p -64.3 -42.64 96.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.848 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.84 81.41 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.09 0.471 . . . . 0.0 110.788 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.3 m -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.9 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.257 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' 1154 ' ' THR . 99.1 t -58.46 -59.23 3.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' 1160 ' ' ASP . 4.5 pp -64.81 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' 1159 ' ' LEU . 13.3 t70 -57.23 -53.43 58.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.493 0.663 . . . . 0.0 110.265 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -34.95 72.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.27 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.33 -28.37 69.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.112 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.583 ' O ' ' HG3' ' A' 1167 ' ' GLU . 53.8 m -61.17 -54.05 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 50.9 m -68.86 -23.47 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' 1162 ' ' ALA . 45.2 tp -59.57 -46.96 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 67.9 mt -73.5 -39.15 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.982 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' 1163 ' ' SER . 47.2 mt-10 -56.31 -50.71 70.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.513 ' HA ' ' HD3' ' A' 1171 ' ' LYS . 7.1 tp10 -60.86 -43.58 98.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.36 92.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.069 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.56 -46.03 73.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' 1168 ' ' GLU . 30.9 mtpt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.396 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.169 0.509 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.453 ' HA ' HE21 ' A' 1187 ' ' GLN . 28.0 mtm-85 -71.68 -35.2 70.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.571 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' 1168 ' ' GLU . 15.7 tp -61.43 -41.32 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.662 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.39 94.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.843 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' 1184 ' ' ARG . 48.0 mt-30 -63.81 -47.99 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' 1192 ' ' VAL . 11.1 p -71.48 -29.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.686 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.46 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.163 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -67.99 -32.45 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.792 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.31 83.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1188 ' ' VAL . 61.3 t -63.91 -43.89 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.743 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 16.8 m -60.63 -42.32 96.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.899 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' 1190 ' ' LYS . 27.2 mm-40 -63.4 -41.74 98.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.82 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' 1095 ' ' THR . 84.5 mt -57.55 -49.25 76.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.6 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.58 -29.76 70.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.793 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -75.49 -31.13 60.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.8 t -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 24.0 m -67.02 -24.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.93 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.0 t -78.37 -38.27 42.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -80.1 -1.74 41.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.713 HD11 HD23 ' A' 1091 ' ' LEU . 93.8 mt -59.44 138.63 89.09 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.46 -0.441 0 C-N-CA 122.488 2.125 . . . . 0.0 111.976 178.406 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.807 0.337 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 20.1 mtt -71.26 -44.41 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.136 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -72.45 -31.96 65.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.401 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . 0.403 ' O ' HG23 ' A' 1056 ' ' VAL . 24.0 m -62.69 -46.14 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 173.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.57 96.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' 1057 ' ' VAL . 48.6 tp -60.54 -39.37 87.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.727 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -44.84 95.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' 1060 ' ' LEU . 82.9 t -67.86 -45.83 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.236 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.1 p -63.25 -33.09 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.035 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 72.1 mt-30 -67.58 -39.01 84.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.682 0.277 . . . . 0.0 110.671 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -63.39 -45.99 88.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' 1057 ' ' VAL . 80.1 mt -57.95 -49.59 76.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.272 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.585 ' CB ' HD13 ' A' 1159 ' ' LEU . 12.2 pt-20 -66.45 -38.6 87.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -176.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.95 -33.7 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.049 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' 1067 ' ' ILE . 0.6 OUTLIER -58.88 -48.46 81.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.096 0.474 . . . . 0.0 109.775 172.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.524 HD23 HD12 ' A' 1067 ' ' ILE . 77.2 mt -64.07 -27.86 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.29 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' 1061 ' ' GLU . 81.0 mt-30 -66.51 -40.65 89.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.101 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.44 -43.46 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.938 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.606 HG22 HD13 ' A' 1152 ' ' LEU . 61.9 mt -65.32 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.64 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 36.4 ttmt -61.78 -41.28 97.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 110.313 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.85 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.421 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.93 91.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.82 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.256 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.457 ' O ' ' HD3' ' A' 1072 ' ' ARG . 8.1 tpp180 -57.79 -52.22 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.48 -27.64 56.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.68 45.71 2.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -119.07 23.02 11.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.735 0.302 . . . . 0.0 110.748 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.369 177.686 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 44.7 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -67.47 -30.83 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.436 ' OE1' ' HB ' ' A' 1083 ' ' THR . 3.3 mp0 -57.76 -53.14 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 40.3 tptt -53.75 -52.33 60.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.641 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' 1091 ' ' LEU . 72.6 m -59.38 -54.3 48.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.981 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.1 p -67.28 -38.59 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -70.84 -48.25 55.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.76 -29.66 67.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.641 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.822 HD23 HD11 ' A' 1203 ' ' LEU . 17.4 tp -60.47 -49.48 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.918 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.46 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.03 -37.23 94.09 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.4 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.62 -38.7 77.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.664 0.269 . . . . 0.0 110.91 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.461 ' O ' HG12 ' A' 1098 ' ' VAL . 51.1 m -68.12 -33.33 74.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 174.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.1 m -58.56 -57.39 13.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.026 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -62.65 -38.27 89.64 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.19 -58.33 8.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.283 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.3 p -73.67 -23.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.15 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 34.8 t -63.85 -38.73 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 0.0 110.275 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 34.5 t -75.05 -28.15 60.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.46 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -71.24 -46.02 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.519 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' 1189 ' ' ALA . 13.1 pt -65.44 -28.45 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -68.27 -31.71 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.329 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 54.3 mtmt -75.74 -26.22 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.812 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.425 HD11 HG11 ' A' 1124 ' ' VAL . 71.6 mt -68.07 -25.64 65.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.643 HD23 HD12 ' A' 1185 ' ' LEU . 97.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.624 0.25 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.28 -46.39 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.202 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -74.7 -40.73 36.84 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.067 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.93 -44.67 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.854 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.05 62.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.324 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.41 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.51 -31.49 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -75.33 -33.73 61.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.197 0.522 . . . . 0.0 109.796 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -70.77 -43.37 68.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.78 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 26.4 m -62.98 -42.04 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.686 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.94 77.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.657 0.265 . . . . 0.0 110.856 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.88 98.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.385 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . 0.403 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -69.96 -42.69 68.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 70.9 mt -65.7 -40.56 92.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.52 0.2 . . . . 0.0 111.39 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.552 ' O ' ' HG3' ' A' 1133 ' ' GLN . 14.4 ptm180 -69.69 -36.13 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.669 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 17.4 m -70.24 -36.12 74.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.015 0.435 . . . . 0.0 110.064 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.53 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -56.21 -49.02 75.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.465 175.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.33 -44.31 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.618 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.5 mt-30 -58.81 -49.47 77.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.608 -177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . 0.511 ' HB3' HD13 ' A' 1091 ' ' LEU . . . -65.47 -38.3 89.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.478 -176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.94 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.007 0.432 . . . . 0.0 111.199 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.404 ' HG2' HD13 ' A' 1067 ' ' ILE . 58.3 mtp180 -60.75 -40.04 90.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.55 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.93 -48.9 71.65 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.074 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.472 ' HB ' HG21 ' A' 1151 ' ' VAL . 97.7 t -53.1 -49.95 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.22 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.64 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.721 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.88 -26.37 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.426 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' 1137 ' ' GLY . 88.5 mt -84.11 -42.28 16.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.41 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.452 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -71.24 145.75 49.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.754 -176.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 11.7 t -104.35 3.38 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.7 t70 -89.23 112.17 49.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.783 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -73.33 66.97 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.816 2.344 . . . . 0.0 111.84 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . 0.411 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -164.74 -56.02 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.085 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' 1151 ' ' VAL . 24.5 m -66.52 -25.64 35.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.8 mt-30 -54.36 -49.36 69.99 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.411 0.624 . . . . 0.0 110.479 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.37 59.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.523 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -40.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.522 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -67.63 -34.35 67.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.05 0.452 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.2 mt -77.86 -43.34 30.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.233 0.539 . . . . 0.0 110.33 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . 0.655 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 25.9 t70 -61.59 -41.29 97.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.051 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.519 ' O ' HG23 ' A' 1158 ' ' VAL . 18.0 p -66.05 -46.98 75.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.02 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.07 99.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.968 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . 0.784 ' HA ' HD11 ' A' 1159 ' ' LEU . 23.3 t -66.99 -24.51 66.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.313 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD2' ' A' 1161 ' ' LYS . 30.4 t70 -78.35 -31.06 48.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1154 ' ' THR . 92.1 t -63.05 -62.36 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.081 0.467 . . . . 0.0 111.14 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' 1156 ' ' SER . 0.2 OUTLIER -65.78 -28.32 68.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.303 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' 1157 ' ' ASP . 5.7 t70 -47.01 -53.04 13.36 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.29 0.566 . . . . 0.0 111.054 173.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' 1157 ' ' ASP . 7.2 mttp -77.52 -26.68 51.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.177 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.86 -35.76 82.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 54.0 m -61.34 -49.62 76.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 4.1 p -69.85 -26.6 64.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.583 0.23 . . . . 0.0 110.885 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.778 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.6 tt -61.28 -52.29 65.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.98 -41.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.924 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' 1171 ' ' LYS . 45.5 mt-10 -59.68 -53.9 52.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.919 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.96 -31.25 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.005 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.85 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.77 -38.41 91.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.163 0.506 . . . . 0.0 109.643 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' 1167 ' ' GLU . 5.6 mptp? . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.067 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -54.14 -50.36 67.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.77 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.643 HD12 HD23 ' A' 1106 ' ' LEU . 0.2 OUTLIER -62.93 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.418 -177.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.16 -50.3 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.613 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.778 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.3 p -65.16 -32.15 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.593 0.235 . . . . 0.0 111.258 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -65.63 -48.24 72.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.627 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -73.17 -23.1 60.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.74 95.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 109.983 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1188 ' ' VAL . 60.9 t -65.64 -37.9 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.054 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 6.9 m -59.18 -46.43 88.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.678 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -70.95 -31.31 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.48 90.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.009 0.433 . . . . 0.0 110.008 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.913 ' HB3' HG23 ' A' 1095 ' ' THR . 70.5 mt -56.77 -50.77 71.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.243 174.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.15 -42.75 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.34 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -60.9 -37.33 81.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.6 t -72.93 -47.42 45.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.296 0.57 . . . . 0.0 110.114 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 20.6 m -68.45 -21.38 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.905 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -37.9 52.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 25.7 p -83.14 -1.33 52.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.699 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.822 HD11 HD23 ' A' 1091 ' ' LEU . 72.3 mt -62.4 130.09 92.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 N--CA 1.458 -0.599 0 C-N-CA 122.46 2.106 . . . . 0.0 111.103 172.346 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.227 -0.126 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 41.6 mtt -63.13 -36.37 83.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.288 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 1056 ' ' VAL . 23.3 m -64.81 -47.2 78.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.994 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1057 ' ' VAL . . . -57.21 -41.38 79.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.304 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 27.0 t -62.9 -37.27 86.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' 1052 ' ' SER . 93.8 t -58.86 -49.48 82.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.309 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -55.64 -43.08 71.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 110.534 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.58 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 78.5 mt-30 -61.92 -27.9 69.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.635 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -67.13 -48.76 67.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.247 -0.283 . . . . 0.0 110.556 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' 1132 ' ' ALA . 3.7 mm? -62.67 -43.99 97.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.58 ' HG2' ' HA ' ' A' 1058 ' ' GLN . 11.5 pt-20 -60.36 -40.48 90.89 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.181 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' 1058 ' ' GLN . 57.2 mttm -72.57 -33.31 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.419 . . . . 0.0 110.525 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.88 -50.89 70.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.841 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.664 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.5 mt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.087 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' 1061 ' ' GLU . 72.1 mt-30 -61.89 -31.25 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.805 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.453 HG23 HD21 ' A' 1076 ' ' LEU . 2.7 mp -65.86 -36.36 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -58.99 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.12 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.16 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.953 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -69.17 -35.28 76.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 0.0 110.812 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -66.04 -47.01 75.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 39.0 t70 -77.81 -35.81 50.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.995 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 104.18 44.3 1.63 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.54 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -122.25 17.38 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.248 0.219 . . . . 0.0 111.269 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' 1071 ' ' ALA . 20.2 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.977 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.4 tpp -68.1 -35.62 78.45 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.05 -40.2 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.781 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 74.0 tttt -70.69 -55.47 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.547 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' 1091 ' ' LEU . 77.6 m -53.7 -46.37 70.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.523 -172.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 20.6 p -67.64 -45.69 74.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.823 0.344 . . . . 0.0 111.498 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -70.61 -41.9 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.09 -34.17 75.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.793 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -60.19 -43.91 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.43 -36.38 92.54 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.068 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . 0.504 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.0 m-20 -70.72 -38.23 73.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.709 -0.289 . . . . 0.0 110.524 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.42 ' O ' HG12 ' A' 1098 ' ' VAL . 31.7 m -64.0 -38.73 92.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 109.888 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.844 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.5 m -56.61 -56.33 22.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.24 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 0.1 OUTLIER -67.18 -34.87 78.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.0 -55.76 28.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.062 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.529 HG21 HD21 ' A' 1128 ' ' LEU . 13.6 p -75.71 -22.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.4 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.148 0.499 . . . . 0.0 109.823 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 31.8 m -73.51 -24.4 60.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.394 0.616 . . . . 0.0 110.246 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -72.89 -49.22 31.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.449 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.2 pt -65.46 -23.18 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.36 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.803 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.13 -28.55 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.782 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.32 -37.58 68.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.543 HD23 HD12 ' A' 1185 ' ' LEU . 97.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.682 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.694 0.283 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.87 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -67.25 -49.26 53.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.292 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.59 -46.23 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.649 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.555 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -67.43 -30.66 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -71.07 -35.11 71.76 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.002 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.82 -36.96 56.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.175 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' 1128 ' ' LEU . 31.6 m -65.75 -39.9 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.788 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.01 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.007 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.64 -37.59 94.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.519 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . 0.467 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -76.3 -38.55 33.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.246 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' 1124 ' ' VAL . 61.2 mt -68.45 -40.5 81.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.258 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.497 ' HA ' ' HG ' ' A' 1060 ' ' LEU . 40.0 ptt180 -66.71 -31.46 72.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.416 . . . . 0.0 110.494 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 31.5 t -75.52 -38.9 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.923 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.406 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.35 -52.74 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.27 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' 1060 ' ' LEU . . . -60.81 -38.67 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.322 -175.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -64.04 -46.64 83.51 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -64.39 -33.09 75.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.536 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.48 -32.92 74.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.7 mtm180 -65.77 -40.44 92.02 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.388 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.662 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -50.93 58.51 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.684 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 93.6 t -50.72 -48.48 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.727 0.298 . . . . 0.0 111.379 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -59.63 -46.01 90.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.879 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.07 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.874 0.369 . . . . 0.0 111.451 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' 1137 ' ' GLY . 47.6 mt -81.13 -36.55 30.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.678 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.472 HG21 HG23 ' A' 1147 ' ' VAL . 15.2 t -69.35 -29.51 67.33 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.552 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 27.5 t 73.07 -39.98 0.46 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 174.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.415 ' HB3' HG22 ' A' 1147 ' ' VAL . 11.1 t70 -56.3 118.12 19.98 Favored Pre-proline 0 N--CA 1.466 0.351 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.81 66.91 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.979 2.453 . . . . 0.0 111.778 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.45 -55.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.707 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.472 HG23 HG21 ' A' 1142 ' ' THR . 27.0 m -67.88 -27.2 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.302 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.654 ' O ' ' HG ' ' A' 1152 ' ' LEU . 95.2 mt-30 -57.4 -46.23 83.7 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 172.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.23 -34.59 75.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -40.77 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.685 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' 1147 ' ' VAL . 4.9 p -67.06 -37.72 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1148 ' ' GLN . 29.4 mt -75.86 -42.21 50.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 110.172 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.61 -44.17 96.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.453 ' O ' HG23 ' A' 1158 ' ' VAL . 17.5 p -67.41 -40.55 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.599 0.238 . . . . 0.0 110.853 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.67 84.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.048 0.452 . . . . 0.0 110.524 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . 0.468 ' HA ' ' HG ' ' A' 1159 ' ' LEU . 26.2 t -66.54 -43.23 85.67 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 176.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . 0.497 ' O ' ' HD3' ' A' 1161 ' ' LYS . 24.8 t70 -56.25 -32.91 64.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 110.008 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' 1154 ' ' THR . 97.8 t -61.37 -56.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.633 174.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -71.37 -30.96 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.673 -175.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' 1159 ' ' LEU . 8.5 m-20 -58.38 -48.41 80.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.115 0.483 . . . . 0.0 110.048 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' 1157 ' ' ASP . 4.8 mptp? -75.69 -34.44 60.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.683 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.55 -37.0 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.682 177.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1167 ' ' GLU . 22.7 t -59.24 -54.51 46.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.555 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.3 t -64.02 -29.77 70.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.779 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.734 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.3 tt -61.76 -50.51 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 177.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 74.9 mt -72.13 -39.34 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.055 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.4 mt-10 -63.77 -41.43 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.652 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.645 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 20.6 tp10 -64.22 -44.96 90.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.281 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.63 75.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -56.48 -39.28 72.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 42.3 mtmt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.385 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.459 0.171 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.495 ' HD2' ' OE2' ' A' 1168 ' ' GLU . 36.8 mtt180 -64.68 -42.5 95.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.543 HD12 HD23 ' A' 1106 ' ' LEU . 0.3 OUTLIER -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.022 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.65 93.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -61.5 -47.07 87.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.515 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.734 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.6 p -74.25 -34.04 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -174.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.05 90.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.413 0.625 . . . . 0.0 109.762 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 52.6 tttp -62.88 -40.51 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.047 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -61.01 -45.98 92.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.071 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.722 HG21 HD12 ' A' 1165 ' ' LEU . 61.8 t -60.01 -39.7 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.439 . . . . 0.0 110.152 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -43.0 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.592 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.93 -38.89 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.848 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.702 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.844 ' HB3' HG23 ' A' 1095 ' ' THR . 69.0 mt -53.98 -51.19 64.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.493 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' 1200 ' ' VAL . 0.7 OUTLIER -55.56 -51.34 67.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.477 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.53 -23.69 64.56 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.195 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 16.7 t -73.5 -47.93 37.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' 1197 ' ' ASN . 11.2 m -69.79 -23.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.073 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.1 -31.31 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.283 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.6 p -86.25 -1.84 57.84 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 122.226 -0.296 . . . . 0.0 111.398 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.793 HD11 HD23 ' A' 1091 ' ' LEU . 89.9 mt -70.08 134.07 87.61 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 C-N-CA 122.593 2.195 . . . . 0.0 110.181 166.737 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.87 0.367 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.542 ' HA ' ' HB1' ' A' 1121 ' ' ALA . 52.6 mtt -54.6 -57.06 12.9 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.004 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.92 -30.5 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.564 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 40.2 t -62.26 -51.28 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.21 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -64.09 -40.37 96.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.288 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' 1166 ' ' ILE . 65.0 tp -54.53 -42.65 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.346 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.9 t -56.66 -43.12 80.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.321 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.1 t -67.11 -47.17 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.303 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -56.04 -42.67 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.03 -36.68 75.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.589 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -76.1 -33.5 59.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.82 0.343 . . . . 0.0 110.373 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.6 mt -64.64 -44.31 90.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.288 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.525 ' N ' HD11 ' A' 1159 ' ' LEU . 6.5 pt-20 -66.4 -39.75 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 91.2 mttt -67.71 -34.89 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.051 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.7 -45.99 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.971 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.786 HD21 ' HB1' ' A' 1132 ' ' ALA . 19.1 mt -68.61 -32.12 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.037 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.03 -39.32 91.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.287 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.37 -41.86 98.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.567 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.493 HG23 HD13 ' A' 1076 ' ' LEU . 74.9 mt -67.9 -30.45 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.3 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' 1152 ' ' LEU . 49.1 mtmt -61.31 -35.15 76.59 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.933 0.396 . . . . 0.0 110.388 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.48 63.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.82 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.228 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -66.15 -35.94 81.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -65.5 -44.79 85.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.654 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -8.86 58.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 75.84 34.66 47.59 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.733 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -100.18 -19.54 16.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.716 ' HG ' ' HB2' ' A' 1140 ' ' ALA . 60.7 tp . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.026 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.632 0.253 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . 0.426 ' N ' HD13 ' A' 1141 ' ' LEU . 51.5 ttm -63.5 -32.7 74.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -27.4 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.152 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.93 -56.09 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.314 172.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 64.8 m -62.74 -30.86 71.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.841 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . 0.589 HG22 HD13 ' A' 1203 ' ' LEU . 15.3 p -69.16 -33.49 73.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.706 0.288 . . . . 0.0 110.907 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -73.88 -39.48 63.89 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.0 -40.8 81.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.118 0.485 . . . . 0.0 109.977 174.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.523 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -61.97 -54.08 46.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.123 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.56 91.06 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.652 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.958 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.512 ' O ' HG12 ' A' 1098 ' ' VAL . 16.3 m -65.04 -38.71 91.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.052 0.453 . . . . 0.0 109.877 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.872 HG23 ' HB3' ' A' 1196 ' ' LEU . 93.4 m -58.75 -57.02 14.88 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.261 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -61.94 -35.95 79.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.01 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.809 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' 1094 ' ' SER . 8.9 p -70.32 -29.97 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.415 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 10.3 t -61.52 -41.64 97.63 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.227 0.536 . . . . 0.0 109.906 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 39.2 t -70.9 -32.33 69.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.346 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.79 67.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' 1106 ' ' LEU . 28.1 pt -63.26 -27.14 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.117 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.749 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' 1104 ' ' LYS . 23.2 ttmm -74.99 -24.5 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -38.8 81.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 175.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' 1189 ' ' ALA . 31.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.28 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' 1104 ' ' LYS . 73.4 m-85 . . . . . 0 CA--C 1.523 -0.061 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.46 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.565 0.541 . . . . 0.0 111.995 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.39 -36.6 78.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.413 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.97 -52.6 58.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.722 0.296 . . . . 0.0 111.166 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.2 61.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.392 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' 1050 ' ' MET . . . -70.31 -28.45 65.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.593 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.26 -30.43 57.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 109.702 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.59 -47.35 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.2 m -59.09 -39.73 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.682 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -59.15 -45.82 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.58 -42.43 98.83 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.167 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.79 -46.33 89.98 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.311 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.7 mt -67.05 -42.31 85.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -66.27 -30.6 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.55 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 18.2 m -78.11 -39.05 42.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -49.05 76.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.35 -48.41 79.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.669 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 49.1 mt-30 -70.7 -35.8 72.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.408 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.75 91.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.12 93.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.643 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' 1132 ' ' ALA . 47.5 mtp180 -54.8 -50.13 69.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -55.94 -50.24 62.48 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.975 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.446 HG11 HD22 ' A' 1203 ' ' LEU . 79.8 t -55.5 -47.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.662 0.267 . . . . 0.0 111.353 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -67.17 -38.82 86.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.038 0.447 . . . . 0.0 111.368 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' 1076 ' ' LEU . . . -71.31 -25.86 62.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.61 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' 1084 ' ' MET . 38.2 mt -84.09 -30.75 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.783 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 8.3 t -82.58 155.77 24.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 31.9 p -113.26 4.01 16.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 0.0 110.902 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' 1147 ' ' VAL . 11.4 m-20 -84.53 113.53 49.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -76.2 66.52 7.02 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.471 2.114 . . . . 0.0 112.142 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.45 -56.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.074 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' 1151 ' ' VAL . 18.4 m -64.39 -30.72 50.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.728 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.631 ' O ' ' HG ' ' A' 1152 ' ' LEU . 46.0 mt-30 -53.31 -52.46 59.06 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.129 0.49 . . . . 0.0 110.877 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.4 66.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -40.96 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.791 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -69.58 -36.36 70.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' 1148 ' ' GLN . 38.6 mt -75.38 -42.91 52.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.416 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.0 -41.47 98.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.104 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.623 HG22 ' HE ' ' A' 1198 ' ' ARG . 23.1 p -68.81 -43.99 74.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.524 177.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.52 92.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.701 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 10.8 t -68.57 -26.61 65.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.199 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.58 -32.18 60.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1154 ' ' THR . 96.8 t -55.93 -57.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.251 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' 1159 ' ' LEU . 2.1 pt? -77.73 -28.67 50.87 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.109 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -50.07 -44.74 51.97 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.2 0.524 . . . . 0.0 110.627 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.4 mptt -76.46 -28.64 56.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.588 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' 1166 ' ' ILE . . . -69.71 -32.17 70.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.368 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1167 ' ' GLU . 43.1 m -59.34 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.151 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 3.7 p -72.55 -22.52 61.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.877 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.836 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -63.58 -50.86 67.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1162 ' ' ALA . 65.5 mt -68.07 -40.53 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.662 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.448 ' HG2' HD21 ' A' 1054 ' ' LEU . 32.1 mt-10 -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 110.932 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.25 -47.85 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . 0.489 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -64.09 -31.59 72.83 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -59.88 -42.07 92.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.074 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.0 mtmm . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.573 178.359 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' 1187 ' ' GLN . 59.3 mt-30 . . . . . 0 CA--C 1.518 -0.257 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.511 ' HD2' ' OE1' ' A' 1187 ' ' GLN . 17.5 mmm180 -59.39 -48.31 82.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.786 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' 1106 ' ' LEU . 3.5 mm? -55.22 -45.14 75.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' 1190 ' ' LYS . . . -63.96 -40.8 97.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.294 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.511 ' OE1' ' HD2' ' A' 1184 ' ' ARG . 98.1 mt-30 -60.52 -49.83 76.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.096 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.836 HG13 ' HG ' ' A' 1165 ' ' LEU . 14.4 p -76.55 -31.09 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.418 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' 1186 ' ' ALA . 14.5 mmmm -66.87 -29.34 69.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.16 99.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.105 0.479 . . . . 0.0 110.07 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.566 HG21 HD12 ' A' 1165 ' ' LEU . 39.6 t -67.53 -38.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.048 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 22.5 m -60.33 -42.91 96.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.362 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' 1158 ' ' VAL . . . -60.17 -43.47 95.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.949 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' 1095 ' ' THR . 86.2 mt -56.42 -52.57 64.17 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.938 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.95 -38.71 89.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . 0.623 ' HE ' HG22 ' A' 1154 ' ' THR . 22.7 ttt180 -60.43 -37.12 79.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.988 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 21.0 t -74.24 -47.92 32.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.23 0.538 . . . . 0.0 110.101 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 17.8 m -69.3 -23.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.22 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.2 t -78.26 -34.97 48.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.682 0.277 . . . . 0.0 111.076 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -81.44 -1.54 46.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 111.443 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.589 HD13 HG22 ' A' 1088 ' ' THR . 94.8 mt -58.72 138.85 86.46 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 32.0 Cg_exo . . . . . 0 C--O 1.233 0.252 0 C-N-CA 122.854 2.369 . . . . 0.0 112.165 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.48 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 41.8 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 52.0 mtt -71.6 -38.92 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.59 -38.66 85.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 110.526 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 1056 ' ' VAL . 9.3 m -64.24 -31.64 72.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.806 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.23 41.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.209 0.528 . . . . 0.0 110.419 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -42.96 99.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 14.8 p -61.63 -35.39 77.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1052 ' ' SER . 58.5 t -61.86 -51.66 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.419 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' 1159 ' ' LEU . 63.5 t -57.73 -41.4 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.643 ' O ' ' HG3' ' A' 1062 ' ' LYS . 74.3 mt-30 -57.51 -44.27 84.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -73.49 -28.06 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.164 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.4 mt -67.85 -47.96 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' 1159 ' ' LEU . 11.6 pt-20 -63.96 -40.56 96.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.21 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.643 ' HG3' ' O ' ' A' 1058 ' ' GLN . 28.2 mtpp -62.11 -36.23 81.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.406 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.453 ' O ' HG13 ' A' 1067 ' ' ILE . 21.8 t0 -64.66 -50.54 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.048 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.635 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.9 mt -65.98 -29.54 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.231 -175.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.1 mt-30 -64.07 -38.43 91.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.96 0.409 . . . . 0.0 110.416 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -71.45 -33.0 68.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.397 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1063 ' ' ASP . 68.8 mt -73.58 -32.02 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.795 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1064 ' ' LEU . 98.3 mttt -60.83 -40.0 91.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 109.761 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.54 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.232 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.15 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.191 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.15 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.007 0.432 . . . . 0.0 110.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -66.23 -38.19 87.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.817 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.97 -52.82 57.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.398 0.618 . . . . 0.0 109.95 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 120.17 11.58 6.78 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.949 -172.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -82.57 -68.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.629 0.252 . . . . 0.0 110.822 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' 1140 ' ' ALA . 11.1 mt . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 120.646 0.26 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.3 ttm -66.02 -38.19 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.074 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.33 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' 1086 ' ' LYS . 1.2 tmtp? -70.03 -46.63 64.63 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' 1091 ' ' LEU . 65.0 m -65.38 -44.33 87.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.385 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 28.9 p -64.77 -37.74 88.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.47 -47.26 67.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.331 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.78 -44.42 96.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.776 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.3 OUTLIER -53.91 -54.17 42.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.871 177.55 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.11 95.22 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.087 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 94.9 m-20 -64.88 -35.71 82.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.74 0.27 . . . . 0.0 111.384 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.583 ' O ' HG12 ' A' 1098 ' ' VAL . 50.3 m -75.3 -35.28 61.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.774 0.321 . . . . 0.0 110.173 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.69 HG23 HD13 ' A' 1196 ' ' LEU . 22.9 m -56.31 -56.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.459 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 57.5 pttt -63.6 -35.63 81.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.006 0.432 . . . . 0.0 110.649 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.44 -59.74 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.33 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 1094 ' ' SER . 6.0 p -68.14 -27.67 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.584 0.23 . . . . 0.0 110.986 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.8 t -65.49 -42.25 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 64.4 m -75.54 -25.83 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.087 0.47 . . . . 0.0 110.564 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.04 -43.39 67.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.21 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.476 ' HA ' HD12 ' A' 1105 ' ' LEU . 16.4 pt -65.87 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 178.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.47 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.047 0.451 . . . . 0.0 110.05 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -75.04 -29.75 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.514 HD13 HD22 ' A' 1165 ' ' LEU . 84.0 mt -64.38 -42.37 96.19 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.905 173.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.826 173.718 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 14.9 m-30 . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.74 -51.81 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.231 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -77.6 -43.51 15.03 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.005 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.87 -50.34 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -69.38 -38.34 77.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.06 -37.81 88.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.423 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -64.8 -42.15 95.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.317 0.58 . . . . 0.0 110.316 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.41 -39.87 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.181 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.724 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.3 m -64.37 -44.25 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.457 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -60.46 -45.89 92.08 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.84 0.353 . . . . 0.0 110.562 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.95 99.77 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.155 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' 1131 ' ' LEU . . . -63.12 -39.89 98.53 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.191 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' A' 1124 ' ' VAL . 71.7 mt -70.33 -29.37 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 -176.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1125 ' ' ALA . 25.5 mtm180 -62.2 -55.4 28.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.399 0.619 . . . . 0.0 110.04 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 16.5 m -65.38 -34.52 78.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.623 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' 1127 ' ' GLY . 0.5 OUTLIER -55.86 -48.97 74.57 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.587 175.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.635 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.33 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.068 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.16 -55.03 23.55 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.579 0.549 . . . . 0.0 112.113 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.79 79.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.14 83.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.287 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.2 mmp_? -67.64 -44.17 78.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.027 0.441 . . . . 0.0 109.879 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.531 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -59.82 -47.29 91.71 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.133 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.553 HG21 HD22 ' A' 1203 ' ' LEU . 55.0 t -51.95 -51.69 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.658 0.266 . . . . 0.0 111.276 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.426 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.34 -32.79 74.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.688 -177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.68 -26.48 54.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.419 -178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' 1137 ' ' GLY . 93.9 mt -83.94 -39.46 19.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.435 -177.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.616 HG23 ' HG2' ' A' 1148 ' ' GLN . 7.3 t -79.74 150.76 30.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.97 0.414 . . . . 0.0 110.537 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 20.1 m -109.57 8.34 25.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.716 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' 1148 ' ' GLN . 32.2 t70 -80.53 112.34 30.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.6 Cg_exo -74.95 67.45 5.89 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.894 2.396 . . . . 0.0 111.884 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.04 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.342 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' 1151 ' ' VAL . 33.9 m -69.23 -27.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.131 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.657 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.1 mt-30 -59.77 -52.95 63.27 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 120.754 0.311 . . . . 0.0 111.275 -178.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.86 69.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.183 0.515 . . . . 0.0 110.765 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' 1150 ' ' ILE . 1.4 mm -69.78 -43.86 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.771 -175.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' 1147 ' ' VAL . 3.0 p -66.11 -32.17 56.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.336 0.588 . . . . 0.0 110.868 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -74.79 -43.66 53.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.18 -46.26 87.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.483 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.613 ' O ' HG23 ' A' 1158 ' ' VAL . 8.7 p -58.76 -50.02 75.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.415 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . 0.485 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -57.91 -34.08 69.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 111.119 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.96 78.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.19 -32.92 74.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' 1154 ' ' THR . 29.6 t -57.97 -56.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.218 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1160 ' ' ASP . 4.4 pp -70.49 -29.47 66.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.918 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' 1159 ' ' LEU . 20.3 t70 -55.14 -49.47 71.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.057 0.456 . . . . 0.0 110.524 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.0 mptt -74.24 -30.95 62.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.53 -35.63 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 30.0 t -59.11 -51.86 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.064 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' 1168 ' ' GLU . 9.8 m -63.21 -34.49 77.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.345 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.621 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -62.86 -50.64 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' 1170 ' ' LYS . 7.1 mt-10 -69.42 -36.61 76.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.852 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' 1185 ' ' LEU . 7.7 tp10 -61.8 -46.97 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . 0.423 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -68.05 -30.75 70.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' 1167 ' ' GLU . 34.8 ttpt -58.52 -39.74 80.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.138 174.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.4 mtmm . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.502 176.658 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -61.13 -49.54 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.415 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.581 HD22 ' HG3' ' A' 1168 ' ' GLU . 4.4 mm? -62.68 -46.77 86.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.31 85.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 111.558 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -66.64 -52.31 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.48 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.621 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.0 p -69.43 -32.57 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -64.55 -51.19 64.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.53 -22.59 61.0 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.409 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.91 95.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.758 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.495 HG21 HD12 ' A' 1165 ' ' LEU . 87.9 t -58.74 -44.55 90.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.699 173.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . 0.616 ' HA ' ' HG ' ' A' 1196 ' ' LEU . 2.4 m -62.07 -43.73 98.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.511 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -63.44 -27.53 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.52 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -76.39 -49.04 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.69 HD13 HG23 ' A' 1095 ' ' THR . 4.3 pp -65.36 -41.9 93.35 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.548 0.689 . . . . 0.0 110.912 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.62 ' N ' HD12 ' A' 1196 ' ' LEU . 0.1 OUTLIER -64.24 -33.2 75.27 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.431 178.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -75.59 -29.5 59.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.159 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . 0.454 ' O ' ' HG ' ' A' 1203 ' ' LEU . 10.1 t -65.86 -43.73 87.55 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.19 0.519 . . . . 0.0 109.641 -173.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.659 HG12 HD12 ' A' 1091 ' ' LEU . 31.3 m -67.28 -31.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.343 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 53.7 m -77.38 -21.65 52.89 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.737 0.304 . . . . 0.0 111.578 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 77.3 m -83.2 -18.64 38.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.859 0.361 . . . . 0.0 110.757 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' 1091 ' ' LEU . 84.8 mt -66.05 140.27 96.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.122 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.464 -0.257 0 C-N-CA 122.571 2.181 . . . . 0.0 111.422 174.827 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 49.1 mm-40 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.2 mtt -54.93 -55.16 33.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.872 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -38.51 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.789 -173.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 6.8 t -77.49 -39.72 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.671 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' 1057 ' ' VAL . . . -63.53 -36.86 85.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 65.9 tp -54.51 -44.92 73.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.601 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 48.0 m -58.03 -39.91 79.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.707 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.2 t -64.07 -46.91 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1053 ' ' ALA . 30.0 t -64.6 -38.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.13 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.67 -28.8 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 0.0 111.406 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -75.97 -26.32 56.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.807 0.337 . . . . 0.0 110.574 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' 1064 ' ' LEU . 85.4 mt -70.85 -47.78 57.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.82 ' HB3' HD11 ' A' 1159 ' ' LEU . 5.2 pt-20 -59.43 -39.92 85.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.3 mttp -74.29 -26.1 59.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.88 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.81 -47.33 66.38 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.705 HD21 ' HB1' ' A' 1132 ' ' ALA . 30.7 mt -60.04 -32.03 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' 1061 ' ' GLU . 79.0 mt-30 -61.5 -38.42 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.299 . . . . 0.0 110.765 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.7 -48.25 64.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.144 0.497 . . . . 0.0 110.357 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.671 HG12 ' HD2' ' A' 1136 ' ' ARG . 2.0 mp -64.26 -33.9 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.476 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -64.69 -39.72 94.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 110.311 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.38 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.76 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.716 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' 1072 ' ' ARG . 9.9 tpt180 -59.35 -55.35 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.645 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.68 -30.63 65.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 101.0 39.81 3.01 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -120.86 19.04 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 1076 ' ' LEU . 36.4 mt . . . . . 0 C--N 1.33 -0.242 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.29 -34.78 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.21 -31.13 71.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' 1086 ' ' LYS . 17.3 mmmt -79.18 -46.16 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.674 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 78.6 m -60.64 -41.11 94.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.712 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . 0.414 HG22 HD13 ' A' 1203 ' ' LEU . 31.9 p -70.57 -41.44 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -31.81 73.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.665 HD23 HD11 ' A' 1203 ' ' LEU . 16.1 tp -62.62 -51.58 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -60.97 -39.72 97.42 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.458 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . 0.535 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.6 m-20 -66.07 -40.64 91.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.668 0.27 . . . . 0.0 110.978 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 21.2 m -67.4 -31.0 70.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.2 m -59.23 -50.65 73.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.702 175.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 49.0 mtmt -59.95 -39.6 86.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.83 42.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.754 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.477 HG21 HD21 ' A' 1128 ' ' LEU . 7.7 p -75.48 -23.2 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.672 0.272 . . . . 0.0 111.13 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 27.2 t -66.79 -39.05 87.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.765 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 9.2 p -75.04 -28.32 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.223 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.97 64.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.347 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.7 pt -64.05 -22.85 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.95 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.68 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.914 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 71.7 mmtt -77.04 -24.74 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.601 HD13 HD22 ' A' 1165 ' ' LEU . 70.0 mt -64.66 -24.31 67.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.1 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' 1106 ' ' LEU . 3.6 mm? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.784 0.325 . . . . 0.0 110.312 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.82 75.79 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.997 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -71.11 -43.9 55.43 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.33 -43.24 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 111.176 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -64.82 -50.03 68.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.221 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.581 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.07 -31.01 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' A' 1049 ' ' GLU . 8.2 tpt180 -70.47 -40.43 73.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.248 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.55 -36.2 44.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.72 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.5 m -59.14 -41.4 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.456 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -59.13 -41.16 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.637 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -68.76 -41.8 81.8 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.042 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.46 90.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.36 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.6 mt -66.92 -40.97 87.79 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -69.55 -26.89 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.584 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 13.3 m -79.3 -37.66 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.401 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -60.35 -53.23 60.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.825 178.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.9 -48.82 77.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.055 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -65.6 -37.92 88.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.567 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.1 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.581 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.73 97.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.085 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.671 ' HD2' HG12 ' A' 1067 ' ' ILE . 51.2 mtm180 -60.88 -37.67 82.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.602 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -62.23 -49.69 72.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.694 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 74.3 t -53.39 -46.15 57.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.077 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.12 -43.6 98.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.584 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.76 64.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' 1137 ' ' GLY . 53.3 mt -88.13 -29.51 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.065 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.509 HG21 HG23 ' A' 1147 ' ' VAL . 4.6 t -74.07 153.33 39.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 9.5 m -82.4 -46.48 13.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.172 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.68 117.09 38.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.963 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.57 65.59 8.9 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.443 2.096 . . . . 0.0 111.752 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -162.35 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.79 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.509 HG23 HG21 ' A' 1142 ' ' THR . 27.2 m -63.54 -22.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.021 171.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' 1152 ' ' LEU . 78.7 mt-30 -55.65 -47.05 77.31 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.459 173.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.18 66.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -67.93 -39.47 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.716 -176.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' 1147 ' ' VAL . 2.8 p -68.97 -35.87 71.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.099 0.476 . . . . 0.0 110.571 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' 1148 ' ' GLN . 39.7 mt -75.42 -42.19 54.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.44 -49.29 72.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.572 ' O ' HG23 ' A' 1158 ' ' VAL . 11.1 p -65.76 -40.58 92.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.42 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.07 0.462 . . . . 0.0 110.529 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 30.6 m -67.61 -42.48 82.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.237 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.35 -39.27 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.588 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 1154 ' ' THR . 91.9 t -56.23 -59.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.6 pp -67.88 -30.44 69.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -60.21 -48.94 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.973 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.6 mptt -71.52 -30.95 66.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1166 ' ' ILE . . . -66.59 -34.7 78.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.227 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' 1167 ' ' GLU . 50.1 m -63.24 -52.09 63.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.321 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.643 ' O ' ' HG2' ' A' 1168 ' ' GLU . 8.3 m -61.07 -38.29 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.262 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.844 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -54.56 -52.27 62.61 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 175.134 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' 1050 ' ' MET . 83.8 mt -60.99 -46.06 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.038 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1163 ' ' SER . 40.7 mt-10 -56.73 -59.07 5.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.36 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.69 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 13.6 pt-20 -72.87 -23.88 60.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.48 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.65 93.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.384 . . . . 0.0 110.276 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -63.15 -37.41 87.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.108 0.48 . . . . 0.0 109.996 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 57.3 mtmt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.173 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' 1183 ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.822 0 CA-C-O 121.238 0.542 . . . . 0.0 110.633 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.475 ' HB3' ' OE1' ' A' 1168 ' ' GLU . 13.7 mtp180 -68.16 -43.22 78.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.919 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 85.6 mt -53.05 -42.23 65.58 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.05 0.453 . . . . 0.0 111.124 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.68 84.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.97 -38.63 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.65 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.844 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.9 p -71.82 -32.01 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.425 0.631 . . . . 0.0 109.892 174.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' 1193 ' ' THR . 43.9 mmtm -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.969 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.75 90.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.338 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 21.7 t -65.88 -38.24 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.301 0.572 . . . . 0.0 109.73 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' 1190 ' ' LYS . 71.9 m -53.0 -49.1 66.89 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.465 177.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -76.03 -36.57 59.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.374 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.1 88.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.845 ' HB3' HG23 ' A' 1095 ' ' THR . 66.7 mt -57.82 -52.48 65.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.245 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -62.48 -38.21 88.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.692 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' 1198 ' ' ARG . 37.1 ttm180 -66.84 -31.02 71.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.854 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -50.07 31.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -67.16 -22.08 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.737 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 33.1 t -75.64 -27.81 58.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.1 0.476 . . . . 0.0 110.55 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . 0.526 ' HB3' HG23 ' A' 1150 ' ' ILE . 79.7 m -84.91 -1.66 56.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.665 HD11 HD23 ' A' 1091 ' ' LEU . 91.2 mt -67.77 130.1 93.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo . . . . . 0 C--O 1.235 0.364 0 C-N-CA 122.684 2.256 . . . . 0.0 112.144 179.642 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 CA--C 1.522 -0.128 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.3 mtt -72.03 -40.93 68.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.613 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -44.7 92.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.711 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1056 ' ' VAL . 49.2 m -71.67 -33.41 68.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.173 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.32 87.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.078 0.466 . . . . 0.0 110.199 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' 1057 ' ' VAL . 55.8 tp -64.61 -41.14 96.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.283 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 74.4 m -59.24 -42.37 90.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.429 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1052 ' ' SER . 97.5 t -60.66 -54.22 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.834 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' 1054 ' ' LEU . 9.9 p -64.78 -34.67 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.389 -175.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' 1062 ' ' LYS . 84.3 mt-30 -70.58 -28.14 64.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 111.55 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . 0.774 ' HA ' ' HE3' ' A' 1062 ' ' LYS . 22.5 m-80 -76.41 -36.61 57.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 173.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.7 mt -62.05 -45.77 92.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.217 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.818 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -62.85 -31.59 72.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.217 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.774 ' HE3' ' HA ' ' A' 1059 ' ' ASN . 9.0 mtmp? -62.1 -52.65 63.03 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' 1067 ' ' ILE . 1.5 m-20 -58.36 -46.75 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.538 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.746 HD21 ' HB1' ' A' 1132 ' ' ALA . 5.0 mt -61.99 -39.43 92.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.335 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.24 -40.85 98.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1062 ' ' LYS . 43.1 mt-10 -62.87 -41.52 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.417 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.806 HG21 ' HG3' ' A' 1136 ' ' ARG . 77.8 mt -67.67 -36.94 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.891 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.98 -46.32 91.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.23 83.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.433 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.1 -50.03 73.55 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.808 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -60.64 -45.25 94.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.76 -44.8 96.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.926 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.31 -22.58 57.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.07 30.33 8.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.069 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -115.73 15.66 16.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.91 0.386 . . . . 0.0 110.456 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 42.4 tp . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.574 0.226 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.17 -30.61 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.97 -36.43 74.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.607 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -69.05 -45.33 70.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.188 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 69.7 m -66.51 -38.43 87.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.763 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . 0.492 HG22 HD13 ' A' 1203 ' ' LEU . 30.7 p -67.65 -39.94 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.517 . . . . 0.0 110.45 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.52 -48.89 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.96 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.49 -36.62 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.536 HD22 HD21 ' A' 1203 ' ' LEU . 17.7 tp -60.86 -54.0 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.307 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.56 95.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.177 -0.535 . . . . 0.0 112.669 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . 0.461 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 30.4 m-80 -65.58 -45.13 84.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.0 m -65.06 -30.69 71.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.754 0.311 . . . . 0.0 110.642 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.852 HG23 ' HB3' ' A' 1196 ' ' LEU . 77.0 m -60.1 -55.91 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.809 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 64.6 pttt -67.83 -32.9 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -54.37 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.536 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.587 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.7 p -73.48 -23.05 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.7 t -67.05 -34.5 77.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.303 0.573 . . . . 0.0 109.84 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 42.9 m -74.16 -25.22 59.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 110.0 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.488 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -72.44 -49.31 34.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.817 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.9 pt -64.43 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 120.752 0.311 . . . . 0.0 110.581 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.18 95.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 53.3 mttp -75.66 -38.2 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.16 -28.34 68.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.541 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' 1185 ' ' LEU . 36.0 tp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.845 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.1 -49.92 19.69 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.7 -45.74 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.67 0.271 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.9 -41.82 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.684 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -67.4 -33.04 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.228 0.537 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -71.72 -33.13 68.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.213 0.53 . . . . 0.0 109.976 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 29.6 t70 -78.26 -38.54 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.669 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.4 m -59.29 -38.32 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.434 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -61.07 -38.73 87.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.349 . . . . 0.0 110.77 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -74.47 -42.08 34.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.35 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . 0.473 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -62.35 -40.08 98.58 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.493 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' 1124 ' ' VAL . 82.6 mt -68.31 -29.81 68.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.623 0.249 . . . . 0.0 110.955 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1125 ' ' ALA . 63.0 mtt180 -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.2 0.524 . . . . 0.0 110.183 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 21.5 m -56.69 -41.5 77.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.392 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.461 HD22 HD12 ' A' 1091 ' ' LEU . 1.9 tm? -57.7 -49.17 77.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.746 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -62.72 -42.88 99.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.421 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 1129 ' ' ARG . 96.8 mt-30 -61.89 -44.28 97.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.311 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' 1138 ' ' VAL . . . -63.57 -47.43 81.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.806 ' HG3' HG21 ' A' 1067 ' ' ILE . 4.6 mpt_? -66.51 -36.23 82.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.52 -41.27 96.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.881 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1134 ' ' ALA . 77.1 t -55.95 -45.91 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 0.0 111.351 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.54 90.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.8 69.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.98 0.419 . . . . 0.0 110.933 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.89 -37.74 84.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.05 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.468 HG21 HG23 ' A' 1147 ' ' VAL . 14.0 t -68.82 -38.34 79.8 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.438 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.6 m 61.27 13.24 4.72 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' 1148 ' ' GLN . 23.5 m-20 -94.39 116.78 66.8 Favored Pre-proline 0 C--O 1.233 0.215 0 O-C-N 122.167 -0.333 . . . . 0.0 110.201 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 8.6 Cg_exo -72.13 68.48 3.27 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 123.306 2.671 . . . . 0.0 112.298 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.37 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.141 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' 1151 ' ' VAL . 21.5 m -72.73 -22.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.153 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.708 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.75 -52.61 63.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.892 0.377 . . . . 0.0 110.204 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.8 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -44.84 40.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.766 -175.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -68.64 -31.27 50.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.459 0.647 . . . . 0.0 110.899 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 1148 ' ' GLN . 30.7 mt -78.23 -40.41 37.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.235 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -50.64 67.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.378 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' 1198 ' ' ARG . 21.4 p -60.28 -48.58 81.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.531 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.31 70.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 111.366 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 10.8 t -80.38 -25.96 38.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.048 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . 0.569 ' OD1' ' HE2' ' A' 1161 ' ' LYS . 37.9 t70 -71.83 -32.74 67.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1154 ' ' THR . 83.9 t -56.81 -60.58 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.898 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' 1061 ' ' GLU . 3.0 pp -66.09 -29.21 69.49 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.679 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.605 ' N ' HD12 ' A' 1159 ' ' LEU . 27.1 t70 -50.8 -53.12 34.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.021 0.439 . . . . 0.0 110.876 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.569 ' HE2' ' OD1' ' A' 1157 ' ' ASP . 3.2 mptp? -77.25 -29.01 53.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.369 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -63.64 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.574 0.226 . . . . 0.0 111.085 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' 1167 ' ' GLU . 39.3 m -58.22 -47.01 84.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 17.3 m -69.24 -28.83 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.908 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.7 tt -62.67 -46.73 86.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1162 ' ' ALA . 70.4 mt -67.76 -41.2 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.81 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' 1163 ' ' SER . 51.5 mt-10 -61.45 -49.21 77.72 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.522 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.44 ' HG3' HD22 ' A' 1185 ' ' LEU . 25.1 tp10 -58.17 -45.72 87.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.81 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -64.35 -47.05 80.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.147 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.43 -34.63 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.433 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' 1171 ' ' LYS . 35.3 ttpt . . . . . 0 N--CA 1.441 -0.883 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.317 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' 1187 ' ' GLN . 93.4 mt-30 . . . . . 0 CA--C 1.521 -0.141 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -55.21 -45.41 75.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.127 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.561 ' HB3' HD12 ' A' 1106 ' ' LEU . 0.8 OUTLIER -54.17 -44.67 71.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 177.195 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.52 80.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' 1183 ' ' GLN . 86.3 mt-30 -61.09 -49.64 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.908 HG13 ' HG ' ' A' 1165 ' ' LEU . 12.0 p -72.05 -33.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -62.84 -44.4 96.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.238 0.542 . . . . 0.0 110.018 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.492 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.95 88.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.51 HG21 HD12 ' A' 1165 ' ' LEU . 95.6 t -61.28 -38.82 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.0 110.31 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 28.6 m -59.93 -42.51 94.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.713 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.07 -33.26 67.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.276 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.27 90.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.832 0.348 . . . . 0.0 110.081 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.852 ' HB3' HG23 ' A' 1095 ' ' THR . 80.7 mt -59.45 -44.4 92.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.776 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.58 -37.73 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.819 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' 1154 ' ' THR . 20.9 ttp180 -70.7 -25.09 62.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' 1154 ' ' THR . 72.6 m -71.49 -49.38 41.78 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 109.892 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -71.84 -23.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.807 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 8.9 t -78.42 -32.42 48.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -83.76 -2.4 56.21 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.524 0.202 . . . . 0.0 111.534 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.536 HD21 HD22 ' A' 1091 ' ' LEU . 76.2 mt -57.84 124.82 70.98 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.619 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 N--CA 1.462 -0.353 0 C-N-CA 122.931 2.421 . . . . 0.0 112.268 178.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.131 0.491 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.55 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.3 mtt -56.66 -40.55 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.9 175.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.06 -41.87 77.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -36.5 74.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' 1056 ' ' VAL . . . -66.46 -40.82 89.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 0.0 110.192 174.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.552 HD13 ' HB ' ' A' 1166 ' ' ILE . 51.0 tp -59.78 -33.88 72.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.672 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -61.93 -41.9 98.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.541 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' 1053 ' ' ALA . 6.1 m -72.38 -24.7 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1053 ' ' ALA . 63.0 t -71.6 -41.1 71.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.295 176.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.64 -28.58 69.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.414 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -76.36 -34.35 58.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 110.471 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.59 HD11 ' HG2' ' A' 1129 ' ' ARG . 96.2 mt -67.66 -44.77 77.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 10.4 pt-20 -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.407 ' HA ' HE21 ' A' 1065 ' ' GLN . 67.6 mttm -65.99 -39.98 90.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.853 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' 1067 ' ' ILE . 31.2 m-20 -61.72 -46.62 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.462 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.71 HD12 HD21 ' A' 1159 ' ' LEU . 56.4 mt -65.78 -34.19 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.425 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' 1061 ' ' GLU . 22.7 mt-30 -62.61 -38.33 89.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.422 . . . . 0.0 110.756 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.22 -43.15 67.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' 1063 ' ' ASP . 82.5 mt -65.0 -33.3 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.425 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.529 ' HE3' ' HB2' ' A' 1153 ' ' ASP . 23.8 tptm -57.72 -48.51 79.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.455 177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.58 94.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -74.48 -27.79 60.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -66.48 -43.02 86.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.904 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.27 -36.16 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 109.9 11.76 19.99 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.939 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -79.68 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' 1139 ' ' ALA . 5.4 mt . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 115.208 -0.905 . . . . 0.0 113.114 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . 0.556 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 1.2 p . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.633 0.254 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.2 ttm -56.4 -37.85 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.227 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.556 ' OE1' ' HB ' ' A' 1083 ' ' THR . 9.6 pm0 -62.62 -35.13 78.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.661 0.267 . . . . 0.0 110.715 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.13 -40.06 28.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.95 -40.03 96.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.644 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 19.5 p -72.42 -28.75 63.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 110.613 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.24 -47.51 61.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.61 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.04 -27.46 67.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.338 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.787 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.9 OUTLIER -57.6 -52.91 63.49 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.033 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.99 -40.59 99.49 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.447 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -60.8 -46.66 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.656 0.265 . . . . 0.0 110.787 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 16.9 m -63.26 -37.36 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 110.181 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 1.003 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.4 m -55.61 -53.56 55.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.789 175.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' 1092 ' ' GLY . 51.0 mtmt -66.34 -34.55 78.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.964 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.17 -55.26 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.514 HG21 HD21 ' A' 1128 ' ' LEU . 10.9 p -72.16 -24.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.617 -178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 42.6 t -63.87 -40.61 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 110.32 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' 1104 ' ' LYS . 25.1 m -73.82 -25.71 60.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.135 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -75.02 -46.56 34.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.546 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.5 pt -64.7 -27.32 42.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.794 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.3 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.83 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1100 ' ' SER . 94.2 mttt -70.77 -32.75 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.524 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.38 -25.53 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.473 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.86 -178.446 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . 0.526 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -59.35 -35.82 74.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.043 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.76 96.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.956 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.42 -37.87 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.19 70.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.323 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.55 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.86 -30.12 71.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.266 0.555 . . . . 0.0 110.831 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -75.37 -30.11 60.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.34 0.59 . . . . 0.0 109.985 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.09 -41.58 49.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.599 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.756 ' O ' ' HG ' ' A' 1128 ' ' LEU . 30.7 m -62.1 -42.95 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.765 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -59.85 -38.84 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.065 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.16 -43.45 98.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.999 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.15 -36.25 92.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.024 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' 1124 ' ' VAL . 42.5 mt -71.13 -36.75 72.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.59 ' HG2' HD11 ' A' 1060 ' ' LEU . 42.2 mtm180 -60.62 -53.34 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 0.0 110.491 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -60.56 -36.55 78.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.217 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -53.13 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . . . . . . . . . . . -58.22 -38.48 76.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.702 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.62 -46.23 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.85 66.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.61 -54.93 32.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -68.17 -23.95 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.01 -48.28 72.8 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.5 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.6 -44.24 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.567 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' 1076 ' ' LEU . . . -61.33 -43.76 98.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.476 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.98 -26.91 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.45 -39.3 38.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.552 HG21 HG23 ' A' 1147 ' ' VAL . 6.7 t -73.47 -43.97 59.02 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.435 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 16.6 t 57.28 29.94 17.62 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.296 0.57 . . . . 0.0 110.49 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' 1148 ' ' GLN . 19.1 t70 -109.48 113.7 57.96 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.41 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 15.0 Cg_exo -69.17 68.24 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 0.0 112.954 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.03 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.717 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.552 HG23 HG21 ' A' 1142 ' ' THR . 21.7 m -80.37 -22.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.589 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.644 ' HB3' ' HB1' ' A' 1071 ' ' ALA . 28.1 mt-30 -53.78 -56.15 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.19 0.519 . . . . 0.0 110.675 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.81 71.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.3 OUTLIER -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 -174.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.81 -34.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.086 0.47 . . . . 0.0 110.992 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.5 mt -77.4 -41.33 40.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.222 0.534 . . . . 0.0 110.48 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . 0.529 ' HB2' ' HE3' ' A' 1068 ' ' LYS . 15.6 t70 -55.9 -45.73 78.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.04 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.479 ' O ' HG23 ' A' 1158 ' ' VAL . 17.6 p -69.08 -42.93 75.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 28.0 t -68.94 -27.37 65.69 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.369 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.7 -35.2 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1154 ' ' THR . 94.6 t -55.01 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.902 177.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.71 HD21 HD12 ' A' 1064 ' ' LEU . 3.3 pp -67.44 -29.22 68.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.273 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' 1159 ' ' LEU . 28.2 t70 -55.8 -50.55 70.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.6 mptt -72.75 -33.44 66.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.367 178.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.44 -30.2 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 41.2 m -62.02 -52.05 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.005 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 15.7 m -65.92 -30.95 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.518 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.656 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.2 tt -59.11 -52.37 66.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.552 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.5 mt -67.07 -42.45 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.229 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.47 -44.3 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.87 -37.32 86.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.138 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.07 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.181 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.42 -35.59 77.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.173 0.511 . . . . 0.0 110.11 175.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 63.9 mttm . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 177.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -65.44 -44.31 87.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.882 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.18 -46.13 75.81 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.984 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.63 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.215 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.02 -47.28 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -70.24 -33.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.054 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -65.86 -48.38 71.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -69.59 -22.12 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.709 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -66.28 -33.41 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 109.776 173.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.446 HG21 HD12 ' A' 1165 ' ' LEU . 46.2 t -69.21 -43.05 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.373 174.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' 1196 ' ' LEU . 12.9 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.978 176.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' 1190 ' ' LYS . 82.7 mm-40 -62.66 -43.47 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.907 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.41 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.636 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 1.003 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -58.44 -52.53 65.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.186 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 11.3 t30 -67.37 -33.48 75.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.114 0.483 . . . . 0.0 110.408 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -64.9 -30.49 71.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' 1203 ' ' LEU . 18.2 t -73.49 -50.24 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' 1203 ' ' LEU . 30.1 m -68.43 -21.97 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 40.8 t -70.17 -45.27 67.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.461 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 28.7 p -77.2 -17.89 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.227 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' 1091 ' ' LEU . 52.3 mt -60.8 123.33 74.29 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 N--CA 1.455 -0.751 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 177.408 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.416 ' HA ' ' OG ' ' A' 1052 ' ' SER . 8.2 tp10 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 47.3 mtt -66.69 -38.21 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.188 0.518 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.96 -39.53 72.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' 1049 ' ' GLU . 3.1 p -71.07 -38.56 72.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.728 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.1 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.518 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.02 -38.05 87.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 32.6 t -63.34 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.921 0.391 . . . . 0.0 110.003 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' 1060 ' ' LEU . 76.1 t -62.46 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 46.8 t -64.5 -37.77 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.843 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 46.5 mt-30 -63.6 -28.12 69.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.161 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -75.59 -39.33 58.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.945 0.402 . . . . 0.0 110.231 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' 1129 ' ' ARG . 95.9 mt -62.75 -48.56 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.182 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.2 pt-20 -59.96 -35.64 75.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.567 ' HB3' ' NZ ' ' A' 1062 ' ' LYS . 9.2 mtpm? -69.89 -45.79 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.091 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.25 -48.21 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.872 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.5 mt -62.08 -35.55 78.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.872 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.95 -36.95 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 0.0 110.692 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.35 -31.06 62.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' 1063 ' ' ASP . 37.8 mt -72.43 -24.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.012 174.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' 1064 ' ' LEU . 58.1 mtpt -67.84 -39.94 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.907 0.384 . . . . 0.0 110.116 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.85 92.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.839 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.85 77.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.463 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.73 74.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.102 0.477 . . . . 0.0 111.102 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' 1072 ' ' ARG . 13.2 tpp180 -64.1 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.116 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -30.32 69.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.785 0.326 . . . . 0.0 111.44 -173.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.01 14.16 10.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.47 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -104.62 18.55 22.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.901 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' 1140 ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.7 0.285 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' 1141 ' ' LEU . 44.5 ttm -68.93 -41.21 78.41 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -22.28 66.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 -176.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.7 -54.9 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.849 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 72.1 m -66.61 -41.79 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.935 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.8 p -65.89 -39.81 90.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -72.17 -40.06 68.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.64 -34.03 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.026 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.559 HD12 HD22 ' A' 1131 ' ' LEU . 20.6 tp -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.82 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -65.11 -43.7 95.22 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.189 177.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -61.05 -43.52 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.868 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.594 ' O ' HG23 ' A' 1098 ' ' VAL . 19.5 m -61.5 -45.3 94.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.208 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 1.079 HG23 ' HB3' ' A' 1196 ' ' LEU . 52.9 m -51.6 -56.06 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -55.62 -42.55 75.08 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.342 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' 1094 ' ' SER . 21.8 t -68.45 -37.41 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.542 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.8 m -59.56 -41.24 89.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -70.53 -39.29 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 110.154 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.656 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -66.84 -47.8 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.939 -176.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.9 pt -63.79 -26.11 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.543 0.211 . . . . 0.0 111.316 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.7 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.127 0.489 . . . . 0.0 110.659 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.656 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 47.9 pttt -70.46 -24.04 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.08 -41.94 70.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 67.2 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.372 176.619 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' A' 1104 ' ' LYS . 26.0 m-85 . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.93 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.28 -42.62 10.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.715 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.2 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.342 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' 1104 ' ' LYS . . . -69.54 -39.2 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.632 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.06 86.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.198 0.523 . . . . 0.0 110.565 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' 1122 ' ' ARG . 21.1 ttt180 -75.86 -27.29 57.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.181 0.515 . . . . 0.0 110.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.4 -44.05 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' 1128 ' ' LEU . 11.7 m -63.58 -45.28 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.341 174.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.91 -44.12 73.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.683 0.277 . . . . 0.0 111.33 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.13 32.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -63.99 -35.83 92.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.813 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 1124 ' ' VAL . 94.5 mt -69.05 -25.39 64.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.899 -0.177 . . . . 0.0 111.199 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.741 ' HG2' HD21 ' A' 1060 ' ' LEU . 20.7 mtm180 -64.93 -48.75 73.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.564 175.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 24.3 m -62.85 -42.1 99.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.316 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.559 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -56.2 -51.9 66.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 178.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.872 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.11 -51.62 69.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.726 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.45 -41.63 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.588 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.65 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.003 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.232 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1132 ' ' ALA . 12.4 mmm180 -67.83 -37.75 82.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.239 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.448 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -44.02 97.38 Favored Glycine 0 C--O 1.227 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.14 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.402 ' HB ' HG21 ' A' 1151 ' ' VAL . 53.0 t -54.99 -45.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.67 0.271 . . . . 0.0 111.288 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.43 -28.0 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.449 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . 0.566 ' HB2' HD22 ' A' 1076 ' ' LEU . . . -77.21 -44.44 30.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1084 ' ' MET . 40.6 mt -64.4 -32.55 74.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.653 -176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.0 t -84.91 152.76 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 40.5 m -116.33 12.23 15.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.228 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.479 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 39.3 m-20 -89.97 107.52 19.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.135 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.8 Cg_exo -75.15 68.62 5.84 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.212 2.608 . . . . 0.0 112.556 -175.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -166.48 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.355 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . . . . . . . . . 35.1 m -69.62 -22.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.718 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.707 ' O ' ' HG ' ' A' 1152 ' ' LEU . 27.0 mt-30 -58.2 -47.82 82.27 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.707 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.83 65.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.792 0.329 . . . . 0.0 110.606 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' 1202 ' ' CYS . 0.4 OUTLIER -69.66 -40.03 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.589 -174.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.468 ' HA ' ' SG ' ' A' 1202 ' ' CYS . 2.7 p -70.39 -31.28 46.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.326 0.584 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 1148 ' ' GLN . 25.9 mt -78.06 -40.55 38.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.88 -45.76 82.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.391 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' 1198 ' ' ARG . 33.9 p -67.77 -39.78 84.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.154 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.21 94.48 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.468 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.5 t -63.38 -33.45 75.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.103 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . 0.411 ' O ' ' HD2' ' A' 1161 ' ' LYS . 35.8 t70 -72.08 -37.17 69.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.194 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1154 ' ' THR . 67.1 t -59.12 -56.31 17.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.7 pp -62.9 -31.46 72.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.854 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.433 ' N ' HD12 ' A' 1159 ' ' LEU . 12.7 t70 -53.55 -53.48 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.816 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.486 ' HG2' ' HB1' ' A' 1191 ' ' ALA . 7.9 mttp -77.52 -34.28 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.409 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.92 76.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.601 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' 1167 ' ' GLU . 19.8 m -64.93 -49.84 68.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.089 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.509 ' HB2' HG21 ' A' 1188 ' ' VAL . 14.8 m -58.25 -34.71 70.76 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.435 ' HA ' HG11 ' A' 1188 ' ' VAL . 61.9 tp -60.99 -51.73 68.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 0.0 110.704 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.92 -38.94 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.3 mt-10 -62.91 -44.41 96.16 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.057 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -59.53 -44.63 93.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.327 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.89 76.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.08 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.43 -44.45 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.58 -179.607 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.699 0.285 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' 1188 ' ' VAL . 19.4 mmt180 -61.67 -42.69 99.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.464 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.27 -46.41 76.15 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.516 0.51 . . . . 0.0 110.762 177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.29 80.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.286 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.98 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' 1164 ' ' SER . 8.8 p -70.96 -26.53 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.53 99.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.958 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' 1193 ' ' THR . 34.2 mmtp -71.57 -29.19 64.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.332 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . 0.486 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -63.55 -46.23 86.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.647 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.509 ' O ' HD13 ' A' 1196 ' ' LEU . 60.2 t -62.06 -44.21 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' 1190 ' ' LYS . 53.7 m -47.54 -47.13 28.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.456 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -78.41 -26.08 46.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.065 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.0 55.03 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 1.079 ' HB3' HG23 ' A' 1095 ' ' THR . 0.3 OUTLIER -52.34 -52.61 52.3 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.91 172.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.454 HD22 ' C ' ' A' 1197 ' ' ASN . 0.2 OUTLIER -66.42 -34.79 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.9 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' 1154 ' ' THR . 39.4 ttm180 -65.27 -32.15 73.66 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.128 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.2 t -74.35 -47.39 34.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.265 0.555 . . . . 0.0 109.886 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 27.5 m -67.32 -27.15 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.06 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.3 t -77.7 -23.93 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.391 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' 1150 ' ' ILE . 14.8 p -85.81 -4.78 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.656 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.503 HD11 HD23 ' A' 1091 ' ' LEU . 96.2 mt -62.95 137.99 97.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.846 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.343 0.251 0 C-N-CA 122.82 2.347 . . . . 0.0 112.214 -179.356 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.405 ' OE2' ' HA3' ' A' 1118 ' ' GLY . 32.1 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 40.0 mtt -63.59 -37.03 85.78 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.094 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.93 -43.14 99.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 15.3 m -69.06 -43.29 74.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.947 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.11 77.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.819 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' 1166 ' ' ILE . 2.4 tm? -59.49 -45.9 90.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.045 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 63.8 m -58.62 -36.1 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.8 t -64.18 -44.71 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.379 . . . . 0.0 110.04 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.7 t -61.9 -39.6 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.267 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.511 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 77.0 mm-40 -58.59 -42.06 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -34.4 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.073 0.463 . . . . 0.0 110.438 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' 1056 ' ' VAL . 98.4 mt -70.89 -46.66 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.706 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.8 pt-20 -63.81 -36.92 85.48 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.284 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1058 ' ' GLN . 29.5 mtpp -60.37 -36.25 77.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.17 0.294 . . . . 0.0 110.934 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -51.96 67.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 110.749 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.763 HD11 ' HB1' ' A' 1132 ' ' ALA . 7.5 mp -70.45 -21.84 62.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.604 -174.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' 1061 ' ' GLU . 29.7 mm-40 -67.77 -39.44 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -63.95 -53.04 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.491 175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.489 HG12 ' HD2' ' A' 1136 ' ' ARG . 1.8 mp -58.37 -37.23 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.267 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.348 . . . . 0.0 110.58 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.32 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.068 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.88 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -72.62 -27.89 62.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.8 -46.0 85.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.293 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.3 -18.82 44.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.65 37.47 5.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.859 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.36 -75.72 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' 1140 ' ' ALA . 39.4 mt . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 45.1 ttm -62.51 -32.4 73.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.822 0.344 . . . . 0.0 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' 1085 ' ' GLU . 1.8 mp0 -58.82 -47.47 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 176.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -46.31 83.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.304 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.7 m -61.6 -50.32 73.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.24 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . 0.513 HG22 HD13 ' A' 1203 ' ' LEU . 25.5 p -64.05 -32.35 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.057 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.65 -51.41 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.779 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 46.8 t0 -64.09 -36.46 84.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.136 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.85 HD23 HD11 ' A' 1203 ' ' LEU . 19.3 tp -58.71 -53.05 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.189 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.93 -43.58 97.28 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.923 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -67.48 -37.36 82.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.584 0.23 . . . . 0.0 111.448 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 38.8 m -73.22 -29.74 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.722 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.1 m -58.21 -41.49 84.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.234 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.08 -29.66 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.915 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -76.06 -49.35 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.565 HG23 HG12 ' A' 1124 ' ' VAL . 4.0 p -74.7 -30.18 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.2 p -69.0 -37.21 78.57 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1104 ' ' LYS . 13.6 p -74.75 -27.9 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.363 0.601 . . . . 0.0 109.993 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.617 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -72.09 -43.24 65.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.546 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.4 pt -64.14 -29.65 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.734 0.302 . . . . 0.0 110.733 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 53.8 mtmt -76.04 -28.99 57.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.72 -37.06 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.235 0.54 . . . . 0.0 110.684 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.098 -177.805 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . 0.486 ' HA ' HD12 ' A' 1119 ' ' ILE . 48.0 m-85 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.752 0.31 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -58.24 -39.88 80.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.676 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' 1049 ' ' GLU . . . -68.81 -35.77 80.62 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.191 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' 1116 ' ' TYR . 80.6 mt -55.55 -55.04 19.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.06 0.457 . . . . 0.0 110.659 177.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.73 77.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -71.83 -21.45 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.026 0.441 . . . . 0.0 110.736 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' 1122 ' ' ARG . 21.7 ttp180 -79.13 -44.53 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.093 175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.69 -42.74 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.378 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' 1128 ' ' LEU . 16.8 m -62.64 -46.3 96.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.327 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.71 -49.84 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.6 0.238 . . . . 0.0 110.838 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.87 -41.94 99.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.408 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.76 96.49 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.314 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.5 mt -71.55 -25.93 62.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' 1125 ' ' ALA . 12.9 mtm180 -61.38 -56.29 21.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.422 0.629 . . . . 0.0 109.435 175.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.2 m -66.31 -33.63 76.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.469 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.531 HD22 HD12 ' A' 1091 ' ' LEU . 0.4 OUTLIER -54.23 -48.95 70.52 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 173.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.763 ' HB1' HD11 ' A' 1064 ' ' LEU . . . -62.52 -50.82 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.445 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' 1129 ' ' ARG . 50.3 mt-30 -57.98 -39.73 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.264 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -73.31 -44.05 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.365 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.298 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' 1067 ' ' ILE . 29.5 mtm180 -61.48 -35.35 77.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.003 0.43 . . . . 0.0 110.156 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -65.01 -51.33 52.06 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.163 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.489 ' HB ' HG21 ' A' 1151 ' ' VAL . 73.8 t -53.92 -45.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.026 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.8 92.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.491 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -71.56 -26.92 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.545 -177.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' 1137 ' ' GLY . 94.9 mt -80.18 -36.9 34.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.823 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.512 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -78.05 146.73 35.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.2 t -105.5 6.25 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.935 0.398 . . . . 0.0 110.425 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' 1148 ' ' GLN . 18.1 t70 -88.53 113.32 54.99 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -74.74 67.74 5.63 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.789 2.326 . . . . 0.0 111.707 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.72 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.572 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.512 HG23 HG21 ' A' 1142 ' ' THR . 29.0 m -69.62 -23.08 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.645 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.2 mt-30 -56.96 -42.83 80.86 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 121.144 0.497 . . . . 0.0 110.274 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.96 68.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.751 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -38.73 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.737 -174.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.489 HG21 ' HB ' ' A' 1138 ' ' VAL . 3.5 p -72.55 -37.08 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.9 mt -74.8 -44.21 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.95 -46.68 81.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.64 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.536 ' O ' HG23 ' A' 1158 ' ' VAL . 10.9 p -64.52 -45.27 87.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.692 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.5 t -66.28 -35.02 79.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.07 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.32 -35.58 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.391 . . . . 0.0 109.999 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 1154 ' ' THR . 89.2 t -59.06 -58.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 176.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' 1061 ' ' GLU . 3.2 pp -65.32 -30.68 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' 1159 ' ' LEU . 32.2 t70 -57.9 -49.69 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 176.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.7 mptt -77.22 -27.55 53.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.056 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -63.73 -47.17 82.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.01 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' 1167 ' ' GLU . 5.0 p -67.12 -45.74 76.27 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.03 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 68.9 m -57.26 -34.03 68.2 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.79 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -61.09 -51.88 67.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' 1054 ' ' LEU . 35.4 mt -67.19 -40.4 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.72 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1163 ' ' SER . 49.4 mt-10 -67.41 -45.88 74.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.51 -42.3 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -61.23 -37.97 84.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -65.33 -36.77 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.101 0.477 . . . . 0.0 110.404 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.913 -179.754 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 7.6 mm100 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.962 0.41 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -62.12 -43.41 98.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.117 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' 1169 ' ' ALA . 2.4 mm? -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.948 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.8 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.16 -49.35 70.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.408 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.79 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -69.33 -36.81 73.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.346 -175.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -66.19 -40.09 90.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 177.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' 1193 ' ' THR . 17.7 tptm -67.98 -33.84 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.03 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.95 91.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.74 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.462 HG21 HD12 ' A' 1165 ' ' LEU . 49.1 t -62.25 -41.48 91.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.945 0.402 . . . . 0.0 109.991 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' 1190 ' ' LYS . 62.8 m -51.19 -52.97 39.23 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.145 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -73.43 -37.8 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.595 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.56 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.722 ' HB3' HG23 ' A' 1095 ' ' THR . 76.4 mt -59.48 -52.61 64.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.125 177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.9 t30 -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 tpt180 -68.39 -34.63 76.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.2 t -68.58 -48.45 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.344 0.592 . . . . 0.0 109.532 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.431 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 24.5 m -69.25 -21.92 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.978 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 11.8 t -77.49 -29.87 52.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 84.5 m -86.11 -1.53 57.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.397 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.85 HD11 HD23 ' A' 1091 ' ' LEU . 62.7 mt -65.2 122.6 80.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 111.418 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 68.8 Cg_endo . . . . . 0 N--CA 1.45 -1.046 0 C-N-CA 122.86 2.373 . . . . 0.0 111.687 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 1.8 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.955 0.407 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 58.2 mtt -72.82 -31.98 65.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.538 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.69 -37.21 65.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.683 0.278 . . . . 0.0 110.94 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.7 m -71.4 -29.68 65.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 0.0 110.166 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.78 69.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.942 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' 1166 ' ' ILE . 59.4 tp -64.79 -42.63 94.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.126 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 10.4 p -61.56 -31.91 71.97 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.642 0.258 . . . . 0.0 110.752 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.542 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.1 t -62.4 -46.34 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1060 ' ' LEU . 44.1 t -65.5 -36.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1054 ' ' LEU . 34.4 mm-40 -61.94 -32.89 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.13 -27.56 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.632 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.634 HD21 ' HG2' ' A' 1129 ' ' ARG . 98.3 mt -67.75 -45.73 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.677 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.1 pt-20 -64.36 -41.97 96.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.633 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.54 -28.38 67.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -52.33 55.23 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.745 HD21 ' HB1' ' A' 1132 ' ' ALA . 25.0 mt -67.74 -28.75 67.9 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.826 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' 1061 ' ' GLU . 14.8 mm100 -62.18 -29.5 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.751 176.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.66 -37.94 65.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.063 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.635 HG22 HD13 ' A' 1152 ' ' LEU . 2.1 mp -67.48 -38.79 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.87 -50.68 72.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.07 86.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . 0.478 ' HB1' ' H ' ' A' 1076 ' ' LEU . . . -61.7 -44.92 96.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.388 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.465 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -67.69 -35.56 79.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.477 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -64.12 -40.45 96.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.111 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -76.03 -38.34 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 107.8 36.15 2.45 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -173.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -104.54 -68.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.435 . . . . 0.0 110.798 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.478 ' H ' ' HB1' ' A' 1070 ' ' ALA . 14.0 mt . . . . . 0 CA--C 1.534 0.35 0 C-N-CA 124.216 1.006 . . . . 0.0 113.58 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.8 tpp -58.44 -44.17 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -44.3 97.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -57.79 -54.44 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.569 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 71.6 m -65.3 -44.66 87.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.6 p -64.11 -36.13 83.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 110.966 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.15 -49.51 60.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.29 -33.23 74.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' 1203 ' ' LEU . 0.3 OUTLIER -57.3 -54.08 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.527 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -65.54 -27.48 72.62 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.504 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -78.22 -40.87 36.09 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.542 -0.387 . . . . 0.0 111.065 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.449 ' O ' HG12 ' A' 1098 ' ' VAL . 20.1 m -63.57 -34.43 77.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.0 m -55.51 -49.04 73.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.165 172.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' 1092 ' ' GLY . 55.6 mttp -62.03 -44.58 96.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.02 -61.66 2.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.531 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' 1094 ' ' SER . 7.7 p -67.78 -26.48 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.595 0.236 . . . . 0.0 111.043 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.7 t -67.42 -37.98 83.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.986 0.422 . . . . 0.0 110.161 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' 1104 ' ' LYS . 23.1 t -69.9 -35.81 74.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.563 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -65.85 -49.29 68.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.665 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' 1106 ' ' LEU . 36.0 pt -62.96 -23.73 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.604 0.24 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.96 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.573 . . . . 0.0 109.955 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.525 ' HE3' ' CE1' ' A' 1116 ' ' TYR . 26.1 mmmt -76.39 -24.03 54.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.119 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' 1102 ' ' ILE . 2.7 tm? -78.94 -51.47 9.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.772 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' 1185 ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -176.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . 0.525 ' CE1' ' HE3' ' A' 1104 ' ' LYS . 41.6 m-85 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -51.26 -48.63 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.322 0.389 . . . . 0.0 111.345 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -79.59 -49.63 6.06 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.111 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.7 -54.95 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.415 ' HB3' HD23 ' A' 1105 ' ' LEU . . . -70.27 -37.11 74.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -173.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.45 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.321 0.581 . . . . 0.0 110.312 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -72.08 -35.74 69.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.213 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.3 t70 -73.5 -41.3 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.251 -177.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . . . . . . . . . 24.4 m -58.23 -38.72 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -63.97 -43.17 96.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.4 96.0 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.319 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.16 -44.42 97.4 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.814 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' 1162 ' ' ALA . 2.4 mp -62.58 -37.63 86.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' 1125 ' ' ALA . 54.7 mtp180 -60.72 -55.46 32.88 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.264 0.554 . . . . 0.0 110.003 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 5.1 m -59.89 -37.66 80.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.628 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -56.19 25.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.821 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.745 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.28 -46.38 88.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.925 -177.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.67 -39.74 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.224 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1138 ' ' VAL . . . -68.57 -40.56 80.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.77 0.319 . . . . 0.0 110.742 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . 0.42 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -62.09 -48.31 80.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.676 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' 1067 ' ' ILE . 35.7 ptt180 -70.48 -23.51 62.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.462 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.1 -47.59 58.42 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 171.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1134 ' ' ALA . 56.8 t -51.47 -50.65 28.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.424 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -62.39 -33.4 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.975 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -76.19 -26.34 56.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 111.017 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 1137 ' ' GLY . 73.6 mt -86.98 -38.6 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.272 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.511 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.1 t -75.61 150.05 38.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.132 0.491 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 35.7 t -118.01 12.01 13.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.662 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.34 110.61 37.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.65 68.79 3.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.19 2.594 . . . . 0.0 112.754 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.07 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.154 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' 1151 ' ' VAL . 27.5 m -71.93 -25.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.219 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.557 ' O ' ' HG ' ' A' 1152 ' ' LEU . 16.2 mt-30 -57.89 -55.82 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.197 0.522 . . . . 0.0 110.802 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.24 67.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.3 OUTLIER -74.21 -39.6 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.89 -175.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' 1147 ' ' VAL . 5.3 p -65.94 -36.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.158 0.504 . . . . 0.0 110.686 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.635 HD13 HG22 ' A' 1067 ' ' ILE . 30.9 mt -73.42 -44.52 58.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.317 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.939 -178.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.452 ' O ' HG23 ' A' 1158 ' ' VAL . 21.3 p -63.41 -43.53 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.201 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.08 79.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.181 0.515 . . . . 0.0 110.92 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 33.6 m -71.49 -36.47 71.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.818 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD3' ' A' 1161 ' ' LYS . 26.5 t70 -63.75 -33.07 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.43 . . . . 0.0 110.012 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1154 ' ' THR . 98.7 t -58.04 -56.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.539 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -68.23 -30.94 70.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' 1159 ' ' LEU . 13.7 m-20 -58.32 -52.9 63.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.143 0.497 . . . . 0.0 110.567 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' 1157 ' ' ASP . 0.5 OUTLIER -65.54 -40.27 92.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.494 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' 1128 ' ' LEU . . . -64.24 -35.3 80.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.569 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' 1167 ' ' GLU . 65.0 m -63.57 -44.96 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.9 t -66.46 -32.03 73.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.106 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.554 HD11 HD21 ' A' 1106 ' ' LEU . 57.8 tp -59.32 -49.42 77.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.136 173.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' 1054 ' ' LEU . 91.7 mt -66.34 -41.41 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' 1163 ' ' SER . 46.2 mt-10 -60.72 -50.88 71.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -56.83 -46.32 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.612 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.34 90.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.408 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -60.55 -41.08 93.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.065 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 N--CA 1.444 -0.743 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.674 179.808 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1187 ' ' GLN . 68.5 mm-40 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -66.34 -40.42 89.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.437 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.596 ' HB3' HD12 ' A' 1106 ' ' LEU . 88.6 mt -54.59 -50.42 68.05 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.869 176.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.9 mt-30 -63.55 -53.19 55.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.918 0.389 . . . . 0.0 111.209 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' 1192 ' ' VAL . 7.6 p -69.27 -29.19 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.41 -172.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.425 ' HB2' ' HG ' ' A' 1106 ' ' LEU . . . -60.66 -43.91 97.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.155 0.503 . . . . 0.0 110.342 175.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 59.8 mttp -72.09 -30.42 65.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.46 96.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1188 ' ' VAL . 61.9 t -61.97 -43.05 97.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.138 0.495 . . . . 0.0 110.003 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 -38.49 87.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.994 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.75 -39.92 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.311 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.74 82.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.266 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.761 ' HB3' HG23 ' A' 1095 ' ' THR . 86.7 mt -58.34 -49.49 77.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.356 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.459 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.8 t30 -62.6 -37.81 87.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.962 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.07 -38.56 89.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.529 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.6 t -72.3 -47.3 51.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.623 HG12 HD12 ' A' 1091 ' ' LEU . 32.7 m -67.85 -21.91 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.458 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 26.3 t -76.85 -31.2 56.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.026 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . 0.414 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 82.8 m -86.2 -12.95 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' 1091 ' ' LEU . 77.5 mt -58.19 125.25 74.22 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.459 -0.513 0 C-N-CA 122.455 2.103 . . . . 0.0 112.146 177.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.9 mtt -58.34 -49.52 76.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.332 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -34.87 74.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.415 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.8 m -63.54 -41.11 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -65.47 -43.8 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.324 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.544 ' HB2' HG21 ' A' 1166 ' ' ILE . 46.1 tp -54.62 -34.67 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.77 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 28.5 t -60.42 -50.37 73.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.63 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.0 m -69.89 -30.87 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.673 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' 1060 ' ' LEU . 88.8 t -65.39 -40.94 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.0 110.307 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' 1061 ' ' GLU . 49.5 mt-30 -65.17 -36.26 83.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -65.62 -30.5 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.465 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.724 HD21 ' HG2' ' A' 1129 ' ' ARG . 93.8 mt -72.74 -50.71 22.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 0.0 OUTLIER -61.82 -38.99 90.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.94 -177.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.95 -34.01 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.484 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' 1067 ' ' ILE . 31.6 t70 -61.22 -47.68 84.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.373 0.606 . . . . 0.0 109.649 174.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.0 mt -68.11 -27.02 66.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.847 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1061 ' ' GLU . 15.5 mm100 -63.51 -41.46 98.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.444 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.05 -44.06 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 110.558 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' 1063 ' ' ASP . 39.5 mt -64.55 -32.76 59.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 110.336 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.73 -41.16 98.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.997 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.34 95.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.149 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.88 99.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.97 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.958 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.99 94.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.276 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.81 -46.32 18.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.16 40.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.628 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -117.86 15.17 14.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.33 -0.254 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.221 176.799 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.114 0.483 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 40.9 ttm -64.49 -43.47 94.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.782 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.18 -37.81 86.52 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.701 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.42 -53.71 55.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' 1091 ' ' LEU . 69.3 m -60.65 -46.57 89.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.49 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 13.2 p -67.67 -42.18 82.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -71.84 -48.79 43.72 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.665 0.269 . . . . 0.0 111.243 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -24.55 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.437 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.845 HD23 HD11 ' A' 1203 ' ' LEU . 14.8 tp -59.6 -40.94 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.343 0.592 . . . . 0.0 109.428 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -66.94 -32.27 80.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.757 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -67.87 -40.28 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.1 m -65.96 -37.73 86.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.871 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' 1196 ' ' LEU . 96.9 m -56.44 -43.56 79.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.634 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' 1092 ' ' GLY . 28.0 mtpp -58.67 -40.97 85.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.926 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.08 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . . . . . . . . . 61.5 t -63.67 -45.39 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.719 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 23.0 t -60.79 -34.09 73.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.902 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 47.3 m -75.2 -42.73 55.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.48 90.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.428 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.545 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.1 pt -64.5 -23.19 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.997 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -75.17 -36.4 61.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -73.88 -27.26 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.627 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 1102 ' ' ILE . 95.2 mt -64.41 -25.69 68.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.954 0.407 . . . . 0.0 110.192 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1102 ' ' ILE . 84.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.3 m-30 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.643 0.259 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -59.65 -46.76 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.851 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.47 -37.51 20.39 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.584 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.33 -53.29 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.28 71.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.198 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.96 71.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . 0.489 ' HD3' ' C ' ' A' 1122 ' ' ARG . 1.7 tmt_? -69.37 -40.37 77.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.083 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.73 -41.0 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.605 ' O ' HD22 ' A' 1128 ' ' LEU . 12.6 m -67.79 -39.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.472 175.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -55.89 -48.08 76.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . 0.424 ' HA2' ' HE ' ' A' 1129 ' ' ARG . . . -71.86 -35.55 61.7 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.792 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.4 -51.17 60.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.558 -0.353 . . . . 0.0 112.979 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' 1124 ' ' VAL . 0.3 OUTLIER -65.0 -26.37 68.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.133 0.466 . . . . 0.0 111.619 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.724 ' HG2' HD21 ' A' 1060 ' ' LEU . 46.1 mtm180 -64.9 -53.13 51.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.279 0.561 . . . . 0.0 109.709 175.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.0 m -60.21 -40.9 91.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.691 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.598 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -58.0 -51.02 71.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.831 177.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.96 -55.17 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.122 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.573 ' HG3' ' N ' ' A' 1134 ' ' ALA . 13.3 pt20 -59.35 -45.12 92.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 111.751 -172.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . 0.573 ' N ' ' HG3' ' A' 1133 ' ' GLN . . . -66.45 -41.24 89.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.455 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.939 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1132 ' ' ALA . 11.8 mmm180 -70.98 -35.77 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.369 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.81 -39.0 96.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.974 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 73.8 t -55.45 -48.66 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.972 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.92 65.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.16 55.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.81 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1137 ' ' GLY . 92.7 mt -70.68 -41.0 72.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.787 -176.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.0 t -77.77 145.96 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.8 m -115.23 23.45 12.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' 1148 ' ' GLN . 13.0 m-20 -104.59 113.09 65.34 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.479 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.5 Cg_exo -72.07 67.37 3.32 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.3 2.667 . . . . 0.0 112.45 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.22 -57.21 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.037 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1151 ' ' VAL . 30.8 m -66.97 -28.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.326 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.671 ' O ' ' HG ' ' A' 1152 ' ' LEU . 25.4 mt-30 -55.97 -44.93 78.99 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 121.272 0.558 . . . . 0.0 110.453 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.48 -37.42 63.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.546 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -39.43 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.673 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -70.98 -35.22 58.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.038 0.447 . . . . 0.0 110.971 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.8 mt -78.24 -42.19 31.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 0.0 110.203 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.3 -45.01 84.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.839 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.545 ' O ' HG23 ' A' 1158 ' ' VAL . 19.3 p -69.56 -39.87 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.277 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.62 88.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.233 0.54 . . . . 0.0 110.44 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 15.0 m -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.22 -40.37 86.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1154 ' ' THR . 90.8 t -57.79 -56.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -65.36 -30.36 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' 1159 ' ' LEU . 33.7 t70 -57.06 -49.94 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.107 0.479 . . . . 0.0 110.37 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.2 mptt -77.25 -32.41 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.672 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -65.13 -37.58 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.356 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 32.1 m -64.23 -45.06 89.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.272 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 1168 ' ' GLU . 51.7 m -73.17 -18.6 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.496 HD21 HG22 ' A' 1102 ' ' ILE . 31.5 tp -68.25 -45.3 73.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 171.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' 1054 ' ' LEU . 59.8 mt -66.78 -48.91 78.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.292 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' 1170 ' ' LYS . 4.2 mm-40 -63.6 -28.72 70.12 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 176.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.2 tp10 -60.41 -51.13 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.75 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.053 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . 0.487 ' HG3' ' HA ' ' A' 1167 ' ' GLU . 6.1 mmmm -50.79 -47.37 59.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.454 . . . . 0.0 110.415 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 45.8 mttp . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.587 178.012 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -56.96 -52.03 66.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.792 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.37 -47.71 75.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.601 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.51 90.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.53 63.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.06 -175.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . . . . . . . . . 14.5 p -77.13 -32.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.05 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.166 0.508 . . . . 0.0 109.963 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.7 ttpp -66.36 -40.07 89.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.853 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.07 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 99.3 t -63.33 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.289 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 46.0 m -57.92 -47.0 84.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.08 -35.25 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.099 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.515 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' 1095 ' ' THR . 91.3 mt -58.1 -52.38 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.504 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.9 t30 -64.12 -37.45 87.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.477 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -59.55 -38.7 81.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.816 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . 0.527 ' O ' ' HG ' ' A' 1203 ' ' LEU . 24.4 t -74.21 -51.25 16.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 0.0 110.096 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.5 m -67.15 -21.64 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.001 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 13.6 t -77.51 -41.25 39.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.662 0.268 . . . . 0.0 111.159 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' 1154 ' ' THR . 20.9 p -86.86 -1.42 57.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.845 HD11 HD23 ' A' 1091 ' ' LEU . 57.7 mt -56.81 121.6 46.18 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . 0.456 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 56.8 Cg_endo . . . . . 0 N--CA 1.45 -1.054 0 C-N-CA 122.36 2.04 . . . . 0.0 110.558 169.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.84 0.352 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.585 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 34.6 mtt -57.94 -37.81 74.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.256 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.31 -39.75 71.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.048 0.452 . . . . 0.0 110.144 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1056 ' ' VAL . 16.8 t -63.43 -47.23 82.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.797 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.028 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' 1058 ' ' GLN . 58.0 tp -59.45 -39.89 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 177.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -60.92 -35.8 77.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.722 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.578 ' HA ' ' ND2' ' A' 1059 ' ' ASN . 58.3 t -65.07 -41.96 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.124 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 33.8 t -62.22 -35.28 68.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' 1054 ' ' LEU . 71.4 mt-30 -65.45 -37.95 88.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.569 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . 0.578 ' ND2' ' HA ' ' A' 1056 ' ' VAL . 11.7 p30 -76.46 -26.83 55.81 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.205 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1056 ' ' VAL . 91.3 mt -67.66 -45.46 75.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.633 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' 1065 ' ' GLN . 7.9 pt-20 -63.92 -36.96 85.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' 1058 ' ' GLN . 98.6 mttt -58.87 -48.97 79.51 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' 1067 ' ' ILE . 5.8 m-20 -62.96 -40.03 96.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.982 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.2 mt -66.61 -33.23 75.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' 1061 ' ' GLU . 80.8 mm-40 -61.47 -42.64 99.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.98 -42.85 75.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.089 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' 1063 ' ' ASP . 79.4 mt -65.68 -32.39 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.502 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.08 -45.97 91.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.253 0.549 . . . . 0.0 110.161 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.09 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.492 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.41 86.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -64.88 -41.35 95.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 177.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.19 -39.38 89.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' 1075 ' ' LYS . 25.0 t70 -73.43 -36.11 65.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 112.36 9.68 19.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.338 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' 1073 ' ' ASP . 31.6 mmmt -92.36 10.6 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 111.166 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 47.1 tp . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.801 0.334 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.14 -33.99 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.58 -36.03 68.89 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.252 0.345 . . . . 0.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . 0.497 ' HE2' ' HB3' ' A' 1086 ' ' LYS . 29.1 mtpt -66.71 -50.45 62.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.599 177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 63.9 m -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.7 p -69.42 -34.55 74.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.045 0.45 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.76 -44.2 50.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.207 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.55 -36.26 82.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.409 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.469 HD23 HD11 ' A' 1203 ' ' LEU . 15.7 tp -61.26 -40.98 96.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.41 67.67 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.846 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.39 -44.43 95.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.636 0.255 . . . . 0.0 111.121 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' 1130 ' ' SER . 6.2 p -64.88 -43.13 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.488 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1196 ' ' LEU . 53.2 m -53.59 -51.8 61.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.581 174.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.45 -41.19 93.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.32 -58.77 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.268 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' 1094 ' ' SER . 8.1 p -68.01 -30.01 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.213 -176.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.0 t -62.5 -34.16 76.32 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.374 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.24 -31.38 60.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.217 0.532 . . . . 0.0 110.274 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.448 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -76.05 -43.84 41.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.667 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 26.7 pt -62.79 -25.27 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.681 0.277 . . . . 0.0 110.914 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.27 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 74.2 mmtt -76.76 -36.52 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.772 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.7 -37.11 86.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.282 0.563 . . . . 0.0 110.241 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.627 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 44.6 tp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.559 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . 0.585 ' HB1' ' HE1' ' A' 1050 ' ' MET . . . -62.0 -41.58 98.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.663 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.59 -44.08 65.38 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.109 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.61 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.675 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -66.38 -37.68 85.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.428 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.89 -40.04 94.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 110.735 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -67.72 -35.1 78.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.317 0.579 . . . . 0.0 109.996 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 25.9 t70 -73.91 -39.35 63.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.354 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.675 ' O ' ' HG ' ' A' 1128 ' ' LEU . 29.6 m -62.33 -40.32 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.568 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.7 87.81 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.849 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.28 97.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.302 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.73 72.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.215 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' 1124 ' ' VAL . 88.4 mt -64.36 -41.07 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' 1133 ' ' GLN . 19.7 ptt85 -65.2 -40.06 93.65 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.988 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' 1094 ' ' SER . 16.4 m -66.32 -39.61 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.437 HD22 HD12 ' A' 1091 ' ' LEU . 0.5 OUTLIER -57.23 -48.41 78.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.492 176.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.302 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' 1129 ' ' ARG . 25.6 mt-30 -60.55 -44.29 96.29 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.8 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.66 94.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.791 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -63.01 -34.44 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.133 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.8 mmp_? -65.14 -44.38 88.79 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.128 0.489 . . . . 0.0 110.018 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.73 88.33 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.355 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.2 t -54.06 -46.24 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.26 94.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.443 . . . . 0.0 111.397 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.61 -26.21 59.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.266 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 75.4 mt -85.42 -37.35 19.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.3 t -72.61 150.68 42.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 0.0 110.319 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' 1145 ' ' PRO . 19.9 m -105.15 5.27 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.454 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.6 t70 -92.85 108.86 35.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.528 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1143 ' ' SER . 2.9 Cg_exo -76.25 66.17 7.09 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.673 2.248 . . . . 0.0 111.621 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.42 -46.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.261 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' 1151 ' ' VAL . 23.8 m -72.98 -23.08 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 173.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.688 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.9 mt-30 -57.76 -55.07 39.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.33 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.9 OUTLIER -72.54 -46.53 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.618 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' 1147 ' ' VAL . 2.7 p -63.93 -32.59 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.814 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.6 mt -73.97 -43.85 56.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.699 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.85 -43.1 84.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.652 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.513 ' O ' HG23 ' A' 1158 ' ' VAL . 5.7 p -59.93 -40.2 88.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.482 0.182 . . . . 0.0 111.311 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . 0.449 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -63.91 -31.24 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.443 . . . . 0.0 110.93 176.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.1 t -71.36 -35.15 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.7 -39.61 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.073 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 1154 ' ' THR . 97.7 t -53.26 -57.11 5.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 177.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.552 HD21 HD12 ' A' 1064 ' ' LEU . 4.4 pp -69.4 -30.25 68.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.068 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.517 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -57.98 -49.36 77.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.006 0.431 . . . . 0.0 110.624 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.3 mptt -70.39 -36.65 74.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.362 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.4 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 37.1 m -63.37 -51.61 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.845 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 14.3 m -61.91 -29.26 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.768 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -65.49 -49.76 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.8 mt -70.38 -38.78 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.007 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' 1170 ' ' LYS . 46.9 mt-10 -66.5 -39.35 88.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.063 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.0 -35.6 81.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 110.13 174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.06 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' 1167 ' ' GLU . 21.9 mmtp -60.84 -35.67 77.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 110.075 172.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.647 176.495 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.897 0.379 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -64.5 -37.29 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' 1188 ' ' VAL . 14.2 tp -62.26 -33.8 75.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . 0.627 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -70.46 -43.08 70.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.566 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -67.25 -46.54 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.768 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.7 p -67.57 -33.04 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.599 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.475 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -61.1 -42.57 98.77 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.294 0.569 . . . . 0.0 110.047 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.01 -34.91 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.407 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.55 88.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.609 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1188 ' ' VAL . 67.7 t -63.59 -39.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.333 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 41.6 m -57.56 -42.38 82.9 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.546 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.39 -35.08 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.221 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.69 92.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.34 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.71 ' HB3' HG23 ' A' 1095 ' ' THR . 83.4 mt -57.51 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.633 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.548 ' HA ' HG22 ' A' 1200 ' ' VAL . 0.0 OUTLIER -64.07 -36.15 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.47 -178.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.69 -33.7 74.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.624 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.1 t -76.61 -49.54 16.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.5 . . . . 0.0 109.873 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' 1197 ' ' ASN . 24.2 m -68.46 -23.16 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.356 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 14.5 t -77.53 -24.19 50.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.78 0.324 . . . . 0.0 110.375 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 87.1 m -78.88 -6.09 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.469 HD11 HD23 ' A' 1091 ' ' LEU . 91.4 mt -62.73 130.57 93.84 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 51.7 Cg_exo . . . . . 0 C--O 1.236 0.417 0 C-N-CA 123.134 2.556 . . . . 0.0 112.696 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.776 0.322 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.566 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.7 mtt -63.37 -45.81 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.3 -38.63 81.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 36.0 m -69.58 -35.18 75.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.862 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.33 -35.03 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 1166 ' ' ILE . 36.2 tp -57.4 -42.5 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.662 178.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 42.1 m -58.62 -41.18 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.588 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.473 ' O ' ' HG ' ' A' 1060 ' ' LEU . 51.0 t -65.34 -47.75 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.712 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1053 ' ' ALA . 70.9 t -58.38 -47.13 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.428 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 111.45 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . 0.539 ' HA ' ' HD3' ' A' 1062 ' ' LYS . 16.4 m-80 -76.3 -28.52 57.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.689 0.28 . . . . 0.0 111.188 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' 1064 ' ' LEU . 95.9 mt -64.56 -47.01 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.606 ' HB3' HD11 ' A' 1159 ' ' LEU . 14.9 pt-20 -69.76 -29.3 66.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 110.856 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' 1059 ' ' ASN . 46.6 mtpt -57.75 -43.87 85.7 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.126 0.489 . . . . 0.0 110.319 173.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.477 ' O ' HG13 ' A' 1067 ' ' ILE . 29.5 t70 -64.69 -43.74 92.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.439 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.834 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.2 mt -64.47 -33.96 77.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.389 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' 1068 ' ' LYS . 54.8 mt-30 -64.58 -39.66 94.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.765 0.317 . . . . 0.0 110.754 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.64 -32.66 71.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.07 0.462 . . . . 0.0 110.25 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' 1063 ' ' ASP . 75.3 mt -70.32 -44.52 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.629 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' 1065 ' ' GLN . 19.1 pttp -70.3 -28.72 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.359 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.273 0.558 . . . . 0.0 110.196 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -71.21 -33.51 69.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.43 -35.02 75.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -53.2 56.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.534 174.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.07 -40.45 82.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.43 16.09 6.19 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.158 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -86.94 -71.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.637 0.256 . . . . 0.0 110.882 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.493 HD12 ' NE2' ' A' 1148 ' ' GLN . 8.7 mt . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.814 -173.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . 0.582 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 25.5 p . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.101 0.477 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.45 -43.1 98.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.793 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.582 ' OE1' ' HB ' ' A' 1083 ' ' THR . 1.5 pm0 -63.92 -27.13 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 111.127 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . 0.52 ' NZ ' ' HB3' ' A' 1086 ' ' LYS . 7.8 mtpm? -79.89 -41.98 25.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 0.0 110.293 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 8.6 t -67.15 -35.43 79.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.976 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.9 p -69.56 -30.08 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -71.3 -45.05 63.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.711 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.94 -34.42 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.091 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.847 HD23 HD11 ' A' 1203 ' ' LEU . 26.1 tp -60.84 -53.0 62.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 175.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -66.9 -31.15 77.33 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.555 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -65.55 -45.08 84.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.322 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.7 m -65.53 -33.49 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.221 0.534 . . . . 0.0 109.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.716 HG23 ' HB3' ' A' 1196 ' ' LEU . 51.6 m -57.77 -51.67 68.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.814 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -60.12 -36.38 77.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.21 40.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.608 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.6 p -73.04 -23.79 20.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.271 -177.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.6 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.73 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 25.1 m -72.21 -35.91 69.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.172 0.51 . . . . 0.0 110.14 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.55 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' 1098 ' ' VAL . 14.2 pt -61.74 -36.99 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.352 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.69 90.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.981 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.8 -22.57 56.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.758 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.461 HD21 HG12 ' A' 1166 ' ' ILE . 41.4 tp -57.28 -25.45 59.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.489 0.316 . . . . 0.0 111.327 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1185 ' ' LEU . 10.3 mp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.377 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.037 0.446 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . 0.566 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -62.81 -36.26 82.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.831 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -63.62 -48.39 77.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.013 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.29 -41.53 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.38 93.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.271 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.48 -26.88 67.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' 1122 ' ' ARG . 52.5 mtp85 -77.83 -44.35 27.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.6 -38.02 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.904 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.744 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.4 m -60.41 -46.56 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.83 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.29 95.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.69 0.281 . . . . 0.0 110.525 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.84 -41.24 98.88 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.184 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . 0.493 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -67.45 -44.1 84.95 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.295 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.8 mt -66.48 -41.73 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -65.47 -35.6 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.967 0.413 . . . . 0.0 110.363 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 19.3 m -74.86 -37.4 62.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.909 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.407 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -58.29 -49.95 75.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.353 175.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.834 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.25 -51.32 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.64 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.86 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 70.7 mt-30 -66.53 -34.32 77.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.893 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.27 77.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 0.0 110.78 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -65.97 -39.02 90.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.86 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 45.2 mtp180 -57.38 -46.65 83.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -56.94 -48.51 78.48 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.011 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.9 t -57.5 -46.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.48 87.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.878 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.73 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.587 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.7 mt -76.42 -35.43 58.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.366 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' 1148 ' ' GLN . 10.6 t -77.5 143.01 38.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 14.3 m -103.53 17.84 23.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.476 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' 1148 ' ' GLN . 49.9 m-20 -108.17 108.69 61.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.54 -177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.74 67.62 2.3 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.897 2.398 . . . . 0.0 112.361 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.42 -48.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.062 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1151 ' ' VAL . 27.3 m -78.85 -22.1 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.643 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.629 ' HG3' ' O ' ' A' 1144 ' ' ASP . 43.8 mt-30 -62.08 -47.07 86.29 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.63 -30.66 64.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.776 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -38.88 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.421 -176.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' 1135 ' ' ALA . 2.7 p -69.75 -34.67 61.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.078 0.466 . . . . 0.0 110.63 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.6 mt -76.22 -40.93 50.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 110.189 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.51 -48.5 81.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.893 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.422 ' O ' HG23 ' A' 1158 ' ' VAL . 13.8 p -64.0 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.815 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.61 89.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.504 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 63.7 m -64.24 -35.26 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.762 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' 1161 ' ' LYS . 15.7 t70 -66.46 -31.37 72.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.964 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1154 ' ' THR . 94.5 t -61.99 -56.68 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.234 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' 1061 ' ' GLU . 1.6 pt? -78.12 -29.51 48.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.461 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.507 ' OD2' ' HA ' ' A' 1157 ' ' ASP . 0.0 OUTLIER -67.0 -31.61 72.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.955 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.551 ' HD3' ' O ' ' A' 1157 ' ' ASP . 13.1 mptt -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 173.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 42.7 t -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.721 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' 1168 ' ' GLU . 21.8 m -70.12 -19.96 63.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.651 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' 1162 ' ' ALA . 48.0 tp -71.91 -45.85 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.461 HG12 HD21 ' A' 1105 ' ' LEU . 52.3 mt -65.3 -42.72 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1170 ' ' LYS . 44.7 mt-10 -67.37 -36.47 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.4 tp10 -60.56 -38.47 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.94 77.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.767 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' 1167 ' ' GLU . 19.8 mmmt -56.98 -46.0 82.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.648 174.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.12 179.302 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' 1187 ' ' GLN . 29.7 mm-40 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.361 0.124 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -64.01 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1106 ' ' LEU . 30.7 tp -61.96 -38.35 88.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . 0.727 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -72.46 -39.32 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.327 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' 1183 ' ' GLN . 27.1 mt-30 -61.79 -45.72 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.235 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.423 HG13 HD13 ' A' 1165 ' ' LEU . 14.8 p -69.55 -30.86 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' 1106 ' ' LEU . . . -65.51 -44.52 86.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.935 0.398 . . . . 0.0 110.215 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' 1194 ' ' GLN . 9.5 mtmp? -64.27 -30.49 71.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1188 ' ' VAL . 25.4 t -66.94 -44.01 88.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.853 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . 0.505 ' HA ' HD12 ' A' 1196 ' ' LEU . 17.0 m -59.24 -40.58 86.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' 1190 ' ' LYS . 70.2 mm-40 -67.85 -40.69 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.272 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.716 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -55.28 -52.09 64.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.859 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.503 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.3 t30 -65.99 -36.66 83.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -60.08 -35.15 74.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.699 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 31.0 t -74.71 -51.6 13.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 109.872 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.503 HG22 ' HA ' ' A' 1197 ' ' ASN . 25.6 m -66.32 -21.68 29.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.495 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 25.7 t -77.28 -37.61 52.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.564 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 82.0 m -82.4 -2.28 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.847 HD11 HD23 ' A' 1091 ' ' LEU . 79.2 mt -62.98 128.84 92.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.348 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo . . . . . 0 N--CA 1.461 -0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 111.063 176.143 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.404 ' CD ' ' HA3' ' A' 1118 ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.342 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.69 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.1 mtt -47.23 -38.42 12.2 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.331 170.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.76 -46.06 81.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.377 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 5.4 m -60.64 -46.23 91.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.62 -41.13 79.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.682 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' 1166 ' ' ILE . 66.4 tp -56.95 -42.62 80.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.68 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 35.4 t -58.12 -43.57 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.269 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.436 ' O ' ' HG ' ' A' 1060 ' ' LEU . 64.3 t -64.22 -48.29 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.855 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1053 ' ' ALA . 65.1 t -57.19 -44.95 84.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.151 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' 1062 ' ' LYS . 76.4 mt-30 -60.4 -34.66 74.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.28 -22.89 57.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.964 0.411 . . . . 0.0 110.606 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' 1064 ' ' LEU . 96.1 mt -76.5 -54.99 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.464 ' HB3' ' HB2' ' A' 1159 ' ' LEU . 0.5 OUTLIER -56.57 -41.01 76.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -178.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' 1065 ' ' GLN . 51.0 mttm -74.48 -24.35 59.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' 1067 ' ' ILE . 23.9 t0 -71.76 -40.25 69.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' 1060 ' ' LEU . 18.9 mt -69.13 -35.87 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.705 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' 1062 ' ' LYS . 10.9 pt20 -65.42 -33.85 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.534 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.36 -44.0 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' 1064 ' ' LEU . 33.3 mt -65.06 -37.97 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.004 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.665 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 32.8 ttmt -57.65 -47.19 82.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.162 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.3 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.9 94.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.992 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -72.02 -30.39 65.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.246 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.075 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . 0.446 ' OD1' ' HE2' ' A' 1075 ' ' LYS . 12.8 t70 -75.99 -63.51 1.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.358 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 142.1 34.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1073 ' ' ASP . 75.1 mmtt -104.6 1.04 29.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.706 0.289 . . . . 0.0 110.643 -176.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1071 ' ' ALA . 21.9 tp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . 0.419 ' HE1' ' HB ' ' A' 1142 ' ' THR . 46.1 ttm -72.77 -29.42 63.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -55.02 -47.61 74.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.572 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -63.62 -43.68 96.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.604 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 67.3 m -64.39 -44.18 92.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.406 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 30.5 p -69.34 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.441 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -70.3 -47.02 63.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.171 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -38.91 89.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.413 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.868 HD23 HD11 ' A' 1203 ' ' LEU . 15.2 tp -60.59 -52.56 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.746 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -57.5 -40.97 93.14 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.75 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.31 -46.41 73.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.434 ' O ' HG12 ' A' 1098 ' ' VAL . 57.6 m -59.93 -34.94 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.916 HG23 ' HB3' ' A' 1196 ' ' LEU . 87.6 m -56.65 -52.07 66.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.708 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 63.2 mttm -64.51 -36.62 84.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.8 54.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.502 HG21 HD21 ' A' 1128 ' ' LEU . 7.5 p -73.46 -24.7 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.084 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 66.3 m -63.96 -36.63 84.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.164 0.506 . . . . 0.0 110.26 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 19.7 m -70.99 -25.59 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.953 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.29 23.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.697 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.6 pt -64.45 -25.54 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.243 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.54 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.947 0.403 . . . . 0.0 110.523 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 80.1 mttt -75.84 -34.73 60.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.137 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 72.4 mt -72.55 -26.81 61.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.54 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 38.0 tp . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.717 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . 0.664 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -61.46 -39.46 90.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.525 . . . . 0.0 110.237 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.404 ' HA3' ' CD ' ' A' 1049 ' ' GLU . . . -79.91 -34.43 30.65 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.45 -49.41 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.509 . . . . 0.0 109.953 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.98 -32.56 73.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.396 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.6 -37.37 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.706 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.25 -26.12 42.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.267 0.556 . . . . 0.0 109.893 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -75.52 -44.66 42.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.952 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.716 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.3 m -61.59 -41.73 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.751 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.68 -43.12 72.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.3 -47.27 86.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.161 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.08 94.17 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.35 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' 1124 ' ' VAL . 73.0 mt -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' 1125 ' ' ALA . 36.9 mtm180 -61.75 -53.03 61.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -59.36 -39.55 83.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.703 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.431 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.57 -53.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.994 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.55 -53.41 58.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.248 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.767 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 15.5 mm100 -64.66 -34.54 78.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.03 85.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -67.36 -36.93 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.767 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 19.9 mtp180 -59.41 -44.53 92.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.461 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.63 -47.53 90.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.875 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 76.5 t -54.23 -46.22 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.734 0.302 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.38 -45.48 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.061 -177.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.2 61.26 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.348 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1137 ' ' GLY . 96.9 mt -75.36 -41.99 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.566 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.597 HG21 HG12 ' A' 1147 ' ' VAL . 9.7 t -70.21 147.33 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 110.724 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 6.3 p -98.47 -0.08 44.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.051 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.8 t70 -83.54 114.35 52.93 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -77.6 65.46 8.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.581 2.187 . . . . 0.0 111.693 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -174.01 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.962 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.597 HG12 HG21 ' A' 1142 ' ' THR . 2.2 t -59.44 -36.19 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.653 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.5 mt-30 -52.43 -46.76 66.51 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.77 62.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.631 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' 1135 ' ' ALA . 3.3 p -70.38 -33.46 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 1148 ' ' GLN . 43.0 mt -78.37 -41.05 34.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.235 0.54 . . . . 0.0 110.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . 0.665 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 30.3 t70 -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.881 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.544 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 17.5 p -68.54 -41.71 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.044 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.96 94.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.747 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -68.85 -30.3 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.936 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.25 -40.17 93.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' 1154 ' ' THR . 97.9 t -59.31 -46.75 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.388 174.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' 1061 ' ' GLU . 12.1 mt -71.07 -31.58 68.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.81 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -40.98 73.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.522 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.418 ' HB3' HG22 ' A' 1192 ' ' VAL . 5.5 mptp? -79.8 -39.35 31.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.641 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -61.14 -46.12 91.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.448 -178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 47.7 m -59.7 -44.78 93.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.014 0.435 . . . . 0.0 110.167 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 1168 ' ' GLU . 16.5 m -69.95 -25.25 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.231 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.11 -49.62 66.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.583 ' HB ' HD13 ' A' 1054 ' ' LEU . 63.9 mt -67.99 -42.27 85.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.583 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.69 -38.02 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.187 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' 1164 ' ' SER . 6.1 tp10 -57.39 -47.22 82.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -67.41 -33.63 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.62 -41.69 91.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.416 177.389 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -63.49 -41.48 98.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' 1169 ' ' ALA . 4.0 mm? -60.95 -42.33 98.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -60.13 -42.01 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.5 -51.27 61.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.381 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' 1192 ' ' VAL . 12.0 p -71.87 -33.69 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.626 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 92.99 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 110.609 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' 1194 ' ' GLN . 97.3 mttt -70.07 -34.48 73.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.15 82.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1188 ' ' VAL . 49.8 t -61.41 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.853 175.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 29.1 m -60.45 -38.98 85.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' 1190 ' ' LYS . 30.1 mm-40 -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.497 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' 1198 ' ' ARG . . . -60.93 -41.72 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.916 ' HB3' HG23 ' A' 1095 ' ' THR . 76.7 mt -62.34 -47.91 82.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.688 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.08 -32.21 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 109.701 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' 1195 ' ' ALA . 34.7 ttm180 -63.32 -32.93 74.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.398 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . 0.544 ' SG ' ' HB ' ' A' 1154 ' ' THR . 91.4 m -73.29 -51.94 15.72 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.541 -177.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' A' 1203 ' ' LEU . 24.4 m -69.53 -21.96 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.244 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.1 t -73.07 -42.78 62.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.0 p -80.4 -4.85 55.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.791 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.868 HD11 HD23 ' A' 1091 ' ' LEU . 97.2 mt -64.97 134.05 95.95 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.688 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.46 -0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.108 176.412 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.583 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 19.1 mm-40 . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.921 0.391 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . . . . . . . . . 55.3 mtt -65.83 -34.83 79.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.89 -40.5 63.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.765 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 9.0 p -69.66 -40.05 76.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.483 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.506 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.491 ' HA ' HG12 ' A' 1057 ' ' VAL . 47.7 tp -61.0 -41.67 96.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.351 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 22.2 t -60.52 -43.19 97.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' 1060 ' ' LEU . 97.9 t -62.52 -52.08 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.088 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.5 p -64.73 -33.59 64.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -175.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 42.6 mt-30 -67.27 -33.73 75.94 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.903 0.383 . . . . 0.0 110.772 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -71.95 -29.77 64.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.865 0.364 . . . . 0.0 110.555 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.8 mt -72.21 -48.68 41.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.743 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.791 ' HB3' HD13 ' A' 1159 ' ' LEU . 9.3 pt-20 -61.88 -46.68 88.35 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.957 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.91 -41.36 78.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.756 0.313 . . . . 0.0 111.257 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.5 -47.96 76.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.288 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.734 HD12 HD21 ' A' 1159 ' ' LEU . 31.4 mt -67.57 -29.43 68.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.9 mt-30 -61.76 -38.03 86.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.05 -44.89 36.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.399 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.66 HD12 HD23 ' A' 1064 ' ' LEU . 96.5 mt -59.64 -38.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' 1152 ' ' LEU . 38.2 ttpt -65.93 -41.5 91.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.604 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.77 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.507 . . . . 0.0 109.968 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.83 78.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.675 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' 1076 ' ' LEU . . . -63.62 -41.73 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.997 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -65.07 -40.57 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.485 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.77 -26.73 37.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 111.554 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 99.05 31.78 6.11 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.263 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.98 13.9 31.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' 1071 ' ' ALA . 80.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 53.2 ttm -58.62 -30.54 67.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.015 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.19 -43.84 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -72.52 -40.99 66.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' 1091 ' ' LEU . 78.9 m -60.56 -44.56 96.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . 0.4 HG22 HD13 ' A' 1203 ' ' LEU . 37.1 p -72.11 -38.53 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.46 -50.62 66.79 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.17 -27.61 63.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.171 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1203 ' ' LEU . 22.9 tp -60.99 -52.52 64.66 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -60.09 -38.76 94.83 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.044 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -63.25 -46.96 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.546 0.212 . . . . 0.0 110.661 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.424 ' O ' HG12 ' A' 1098 ' ' VAL . 49.8 m -63.9 -35.9 82.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.561 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' 1196 ' ' LEU . 90.4 m -55.78 -55.48 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.551 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.22 79.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.08 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.391 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.4 p -73.11 -23.18 19.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.92 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.7 m -63.52 -35.74 81.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.016 0.436 . . . . 0.0 110.437 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 22.6 t -75.31 -35.39 61.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.226 0.536 . . . . 0.0 109.766 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.404 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -64.49 -46.69 81.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.52 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' 1106 ' ' LEU . 33.3 pt -64.95 -25.61 38.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.069 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.91 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 110.777 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -75.98 -33.16 59.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.322 0.582 . . . . 0.0 109.985 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1165 ' ' LEU . 21.2 tp -67.91 -24.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.55 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' 1102 ' ' ILE . 51.4 mt . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.513 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.35 -45.58 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.965 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -76.66 -40.82 25.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.57 -48.99 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.969 0.414 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.52 78.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.461 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.13 -35.34 79.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 111.091 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -73.89 -32.58 63.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.099 0.476 . . . . 0.0 110.191 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 23.1 t70 -78.22 -36.26 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.323 -174.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.7 m -62.4 -42.81 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.245 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' 1129 ' ' ARG . . . -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.43 94.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.302 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.46 -37.61 79.04 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.933 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' 1124 ' ' VAL . 64.4 mt -73.94 -37.14 64.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' 1125 ' ' ALA . 10.0 ptm180 -67.08 -38.32 85.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.503 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.7 m -69.51 -36.57 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.177 0.513 . . . . 0.0 109.909 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -61.38 -52.76 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.561 176.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.87 -45.91 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.759 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.44 -43.16 97.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.673 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.91 75.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.05 71.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.722 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.405 ' HA ' HD21 ' A' 1152 ' ' LEU . 33.7 ptt180 -67.83 -23.74 65.2 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.71 0.29 . . . . 0.0 110.761 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.537 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.25 -49.01 49.01 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 69.3 t -53.56 -45.88 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.13 93.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.102 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.82 -26.37 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.466 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 1137 ' ' GLY . 89.8 mt -79.89 -37.36 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.429 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.495 HG21 HG23 ' A' 1147 ' ' VAL . 9.0 t -80.56 150.19 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.776 0.322 . . . . 0.0 110.414 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 p -111.85 4.31 18.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 11.2 t70 -80.2 118.93 74.79 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -72.96 67.19 4.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.843 2.362 . . . . 0.0 112.048 178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -169.19 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.408 176.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' 1151 ' ' VAL . 18.8 m -66.02 -28.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.239 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.59 ' O ' ' HG ' ' A' 1152 ' ' LEU . 48.9 mt-30 -54.18 -52.11 62.23 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.335 0.588 . . . . 0.0 110.463 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.59 -34.15 60.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.564 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -38.43 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' 1147 ' ' VAL . 5.1 p -69.79 -36.12 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 0.0 110.494 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.8 mt -76.71 -42.69 40.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.94 -41.76 83.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.411 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.546 ' O ' HG23 ' A' 1158 ' ' VAL . 4.6 p -70.74 -44.94 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.243 -0.183 . . . . 0.0 111.019 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.08 96.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.195 0.521 . . . . 0.0 110.856 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 19.0 t -66.48 -37.19 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.902 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.1 -34.77 78.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 110.357 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 1154 ' ' THR . 93.5 t -57.85 -62.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.623 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.791 HD13 ' HB3' ' A' 1061 ' ' GLU . 2.9 pp -67.21 -29.38 69.02 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.49 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.553 ' N ' HD12 ' A' 1159 ' ' LEU . 24.1 t70 -54.97 -47.33 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 110.451 174.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -77.68 -35.22 52.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -67.72 -35.5 78.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 0.0 111.61 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 10.1 t -63.8 -40.54 96.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -71.59 -30.54 65.95 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.756 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.5 OUTLIER -61.61 -48.55 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.89 -48.69 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.968 175.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.682 ' HB3' ' HE2' ' A' 1171 ' ' LYS . 10.8 mm-40 -65.46 -52.3 54.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.803 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.42 -34.27 64.28 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.417 0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -56.64 -53.33 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.174 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . 0.406 ' HB2' ' HZ2' ' A' 1170 ' ' LYS . 10.6 mtmp? -70.65 -24.69 62.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.192 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.682 ' HE2' ' HB3' ' A' 1167 ' ' GLU . 64.2 mttm . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.484 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' 1187 ' ' GLN . 4.7 tt0 . . . . . 0 N--CA 1.43 -1.438 0 CA-C-O 120.786 0.327 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' 1184 ' ' ARG . 2.8 mmp_? -52.05 -47.79 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.984 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' 1169 ' ' ALA . 46.6 mt -70.38 -40.68 73.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.955 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . 0.485 ' HA ' HD22 ' A' 1106 ' ' LEU . . . -60.65 -35.11 75.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.628 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.9 mt-30 -73.46 -50.15 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.756 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.4 p -69.58 -32.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.549 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.586 ' CB ' HD21 ' A' 1106 ' ' LEU . . . -62.66 -40.77 98.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.26 -31.77 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.838 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.9 96.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.05 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.589 HG21 HD12 ' A' 1165 ' ' LEU . 52.5 t -64.0 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 26.0 m -57.81 -45.38 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -69.69 -38.7 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.726 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.918 ' HB3' HG23 ' A' 1095 ' ' THR . 59.6 mt -58.11 -49.55 76.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.374 0.607 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.919 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.54 -28.85 65.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 12.8 t -73.16 -47.02 47.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.4 m -71.31 -22.7 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.389 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 35.3 t -77.63 -35.94 52.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.038 0.447 . . . . 0.0 110.82 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 86.3 m -86.06 -0.94 56.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.636 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1091 ' ' LEU . 65.0 mt -56.98 120.37 37.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.425 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . 0.435 ' HB3' HG11 ' A' 1147 ' ' VAL . 60.5 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.768 2.312 . . . . 0.0 112.013 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 121.74 0.781 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.692 ' HB3' HG23 ' A' 1166 ' ' ILE . 62.3 mtt -78.11 -30.64 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.742 176.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.42 -41.38 93.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.393 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 19.5 m -58.81 -39.57 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.461 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -76.09 -37.29 58.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.141 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.476 ' HB2' HG21 ' A' 1166 ' ' ILE . 64.3 tp -58.5 -40.6 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.784 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 41.6 t -56.95 -44.73 82.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 48.5 t -61.73 -46.99 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.341 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.581 HG13 HD12 ' A' 1159 ' ' LEU . 86.2 t -55.7 -49.1 76.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.059 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.8 -34.65 65.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.743 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.25 -45.74 31.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.637 0.256 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' 1064 ' ' LEU . 93.8 mt -57.91 -47.3 83.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.505 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' 1065 ' ' GLN . 8.1 pt-20 -61.71 -44.37 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.852 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.497 ' HA ' ' OE1' ' A' 1065 ' ' GLN . 65.1 mttp -64.72 -36.31 83.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' 1067 ' ' ILE . 30.5 t70 -60.4 -48.81 80.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.333 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' 1060 ' ' LEU . 17.1 mt -66.93 -25.44 66.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.0 mt-30 -67.55 -35.82 79.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.046 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.07 -39.24 60.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.153 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1063 ' ' ASP . 59.0 mt -66.26 -33.26 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.313 178.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . 0.592 ' HA ' HD12 ' A' 1152 ' ' LEU . 39.9 ttpt -65.18 -36.05 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.145 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' 1072 ' ' ARG . . . -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.031 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -60.42 -29.45 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.241 176.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.89 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' 1069 ' ' ALA . 0.0 OUTLIER -67.08 -36.48 82.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -178.474 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -78.18 -17.52 56.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.167 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 77.13 38.33 30.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.542 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 98.8 mttt -95.62 -6.7 39.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 1076 ' ' LEU . 38.7 mt . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.533 . . . . 0.0 111.213 -176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 59.6 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.4 ttm -63.65 -26.82 68.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.147 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.51 -55.78 27.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.147 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -65.77 -38.88 90.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.829 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 70.9 m -60.57 -51.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.282 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 32.5 p -68.05 -39.12 83.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 111.057 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -64.4 -53.13 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.868 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.72 -28.51 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.763 HD23 HD11 ' A' 1203 ' ' LEU . 12.9 tp -61.38 -50.6 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -64.44 -40.08 97.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.158 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -64.42 -40.21 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.773 -0.251 . . . . 0.0 111.076 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.5 m -64.84 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.4 m -58.91 -49.39 77.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.45 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' 1092 ' ' GLY . 57.4 mttm -57.93 -42.39 84.75 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.54 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.572 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.489 ' HA ' ' HB3' ' A' 1101 ' ' ALA . 13.3 p -69.73 -22.83 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 29.8 t -58.65 -45.48 89.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.25 0.548 . . . . 0.0 110.19 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -74.46 -29.77 61.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.049 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -65.45 -50.76 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.465 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.54 -31.29 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.312 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.23 98.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 110.761 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -75.65 -24.3 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.17 -25.79 63.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.003 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' 1186 ' ' ALA . 8.7 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--O 1.224 -0.266 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.88 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.37 -45.39 8.09 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.633 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -52.53 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.522 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' 1123 ' ' ASP . . . -71.39 -27.83 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.102 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.41 -40.49 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 110.299 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -34.02 47.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' 1120 ' ' ALA . 27.9 t0 -65.06 -41.51 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.275 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' 1098 ' ' VAL . 24.5 m -63.9 -40.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.232 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -63.66 -36.2 83.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.48 -45.07 96.95 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.976 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . 0.404 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -65.95 -44.11 92.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.633 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.487 ' HG ' ' CB ' ' A' 1159 ' ' LEU . 0.2 OUTLIER -61.14 -47.17 87.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' 1133 ' ' GLN . 3.9 ptm180 -65.15 -38.13 89.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.609 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.0 m -70.2 -35.62 74.04 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.082 0.468 . . . . 0.0 109.941 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.452 HD13 HD11 ' A' 1091 ' ' LEU . 0.6 OUTLIER -58.06 -49.18 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.35 176.009 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.63 -45.76 88.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.562 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.3 mt-30 -56.49 -48.33 77.39 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.14 0.495 . . . . 0.0 110.951 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.313 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.27 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' 1067 ' ' ILE . 23.9 mtp180 -59.61 -43.44 93.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.35 -51.2 60.23 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.208 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.38 -48.15 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.32 -36.46 84.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.703 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.88 63.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.273 0.559 . . . . 0.0 111.457 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1137 ' ' GLY . 91.5 mt -81.15 -35.71 31.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.106 -174.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.489 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -79.41 152.72 30.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.155 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 42.3 p -112.0 3.92 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 0.0 110.513 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' 1148 ' ' GLN . 8.0 m-20 -76.64 115.88 51.73 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.76 66.86 8.07 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.632 2.221 . . . . 0.0 112.833 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.38 -54.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.503 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' 1151 ' ' VAL . 18.5 m -60.42 -28.63 42.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 176.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.63 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.5 mt-30 -55.38 -52.46 63.47 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-O 121.2 0.524 . . . . 0.0 110.338 176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.39 -31.71 62.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.774 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.752 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' 1147 ' ' VAL . 4.3 p -68.39 -36.1 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.159 0.504 . . . . 0.0 110.568 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1148 ' ' GLN . 36.1 mt -76.86 -41.12 45.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.49 -48.13 82.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.615 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.516 ' O ' HG23 ' A' 1158 ' ' VAL . 17.2 p -66.16 -43.84 85.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.947 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.22 93.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.2 t -64.41 -30.2 71.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.497 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.04 -32.61 61.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' 1154 ' ' THR . 76.1 t -55.0 -57.53 6.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.451 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.581 HD12 HG13 ' A' 1057 ' ' VAL . 1.7 pt? -75.76 -29.48 58.85 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.289 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.53 -39.88 77.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.15 0.5 . . . . 0.0 110.096 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.703 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.2 mptt -66.63 -47.43 72.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.205 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.59 69.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.681 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 15.1 t -62.64 -43.67 98.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 41.9 m -61.83 -34.33 75.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.636 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' 1188 ' ' VAL . 3.6 mt -58.92 -49.86 76.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.266 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' 1050 ' ' MET . 68.7 mt -64.47 -49.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.049 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' 1170 ' ' LYS . 45.9 mt-10 -62.92 -48.19 80.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.487 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -68.26 -31.48 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.847 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.42 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.554 0.216 . . . . 0.0 111.116 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' 1167 ' ' GLU . 20.6 pttm -70.25 -25.04 63.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.059 0.457 . . . . 0.0 110.276 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.774 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 9.5 mmpt? . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.106 0.479 . . . . 0.0 110.01 175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' 1188 ' ' VAL . 30.9 mtm-85 -67.78 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.78 -40.05 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.069 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . 0.448 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -64.5 -34.04 77.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.685 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' A' 1184 ' ' ARG . 52.8 mt-30 -65.78 -37.57 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1184 ' ' ARG . 8.9 t -70.78 -46.45 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.36 74.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.81 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.19 -39.24 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.617 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -67.92 -43.91 78.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' 1161 ' ' LYS . 76.2 t -58.03 -41.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.982 0.42 . . . . 0.0 110.209 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 17.8 m -59.89 -38.49 82.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.704 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.3 -36.07 61.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.413 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.622 ' HB3' HG23 ' A' 1095 ' ' THR . 74.6 mt -55.43 -52.26 64.17 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.91 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.48 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.8 t30 -61.92 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.016 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -60.93 -37.11 81.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.537 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 22.8 t -76.46 -49.53 16.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.0 m -66.98 -25.32 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.703 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.34 -34.74 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.168 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 27.5 p -81.45 -1.51 46.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.727 0.298 . . . . 0.0 111.388 -176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.763 HD11 HD23 ' A' 1091 ' ' LEU . 81.1 mt -63.83 132.41 95.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 N--CA 1.457 -0.674 0 C-N-CA 122.295 1.997 . . . . 0.0 111.592 173.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.0 mtt -55.9 -32.71 63.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.231 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' 1054 ' ' LEU . 18.5 t70 -68.21 -34.96 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.802 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 8.2 t -69.72 -38.07 76.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.002 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -67.1 -35.17 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.254 0.55 . . . . 0.0 109.699 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.565 HD13 ' HB ' ' A' 1166 ' ' ILE . 56.7 tp -61.43 -36.71 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.8 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 68.1 m -55.34 -37.78 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.0 t -65.63 -45.32 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.005 176.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 43.1 t -63.08 -41.23 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.578 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 74.2 mt-30 -58.42 -39.22 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.227 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -68.65 -30.96 69.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 1056 ' ' VAL . 89.0 mt -75.25 -44.64 44.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.714 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.5 pt-20 -63.34 -38.38 90.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.743 0.306 . . . . 0.0 111.258 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.5 -25.95 62.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -71.39 -51.28 24.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.667 HD12 HD23 ' A' 1159 ' ' LEU . 15.7 mt -67.51 -27.85 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.332 -173.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -67.2 -35.97 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.762 0.315 . . . . 0.0 110.62 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.396 0.617 . . . . 0.0 110.208 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.614 HD13 ' HB3' ' A' 1136 ' ' ARG . 66.2 mt -66.14 -35.12 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.521 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -57.47 -45.51 84.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.477 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.16 82.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.92 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -64.86 -40.2 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' 1072 ' ' ARG . 10.1 tpt180 -58.35 -54.04 51.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.594 176.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.73 -23.32 62.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.81 34.34 6.93 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.071 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -109.75 14.02 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' 1071 ' ' ALA . 58.3 mt . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.425 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.571 0.224 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . 0.62 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 49.7 ttm -66.41 -29.33 69.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 110.57 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.28 -34.35 77.92 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.879 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.81 -50.03 18.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.227 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' 1084 ' ' MET . 4.8 p -69.52 -44.8 70.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 31.8 p -61.24 -38.22 85.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.239 0.542 . . . . 0.0 110.86 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.34 -44.89 70.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . 0.513 ' OD2' ' HB3' ' A' 1130 ' ' SER . 35.6 t70 -66.24 -32.59 74.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.957 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.908 HD23 HD11 ' A' 1203 ' ' LEU . 18.2 tp -59.55 -46.23 89.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.024 0.44 . . . . 0.0 110.026 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -63.92 -38.39 96.01 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.103 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . 0.562 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 96.5 m-20 -66.64 -43.22 85.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.679 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.546 ' O ' HG12 ' A' 1098 ' ' VAL . 16.2 m -61.9 -38.9 90.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.8 m -54.22 -54.65 37.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.489 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 59.0 pttt -70.55 -36.9 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.48 -54.71 40.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.861 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' 1094 ' ' SER . 7.6 p -73.99 -23.31 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.021 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.2 m -69.78 -32.61 71.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.6 m -75.19 -29.91 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.538 . . . . 0.0 109.803 172.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.558 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -69.91 -46.2 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.242 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.26 -26.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.19 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.558 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 52.6 mtmt -69.68 -29.75 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.68 -33.29 74.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.189 178.635 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . 0.413 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -66.23 -36.1 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.06 53.82 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.427 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.39 -45.83 96.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.582 0.229 . . . . 0.0 110.647 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.45 89.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.312 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -69.67 -29.07 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.389 0.614 . . . . 0.0 110.613 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -76.42 -26.16 55.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.783 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.27 -42.2 38.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.735 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.824 ' O ' ' HG ' ' A' 1128 ' ' LEU . 23.2 m -58.71 -45.16 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.655 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.76 -38.28 78.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.629 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.58 -47.18 92.06 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.076 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.7 -35.32 91.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.901 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.824 ' HG ' ' O ' ' A' 1124 ' ' VAL . 51.3 mt -71.7 -28.93 64.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.891 0.076 . . . . 0.0 111.119 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' 1125 ' ' ALA . 56.7 mtt-85 -59.02 -57.7 11.94 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.469 0.652 . . . . 0.0 109.834 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . 0.513 ' HB3' ' OD2' ' A' 1090 ' ' ASP . 13.6 m -63.87 -38.39 90.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.588 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -54.72 -53.05 60.08 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.751 177.35 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.25 -52.0 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.395 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.85 -36.83 75.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.719 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' 1138 ' ' VAL . . . -69.54 -44.66 70.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.908 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.84 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.405 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.614 ' HB3' HD13 ' A' 1067 ' ' ILE . 14.3 ptm180 -64.99 -34.51 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.245 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -63.31 -50.06 65.64 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.584 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 1134 ' ' ALA . 75.5 t -55.61 -47.64 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.083 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.3 93.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.422 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.61 -39.75 57.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 111.071 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.42 HD13 ' CA ' ' A' 1084 ' ' MET . 28.0 mt -61.59 -38.79 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.046 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' 1148 ' ' GLN . 8.5 t -78.04 135.5 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.626 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 m -98.84 21.49 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' 1148 ' ' GLN . 27.5 m-20 -108.67 110.31 61.3 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.427 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.66 71.65 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.496 2.797 . . . . 0.0 112.496 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.15 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.494 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.611 HG23 HG21 ' A' 1142 ' ' THR . 26.8 m -69.05 -24.03 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.17 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.653 ' HG2' HG23 ' A' 1142 ' ' THR . 15.0 mt-30 -57.9 -50.36 73.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.377 0.608 . . . . 0.0 110.205 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.29 64.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -39.28 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.601 -175.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' 1147 ' ' VAL . 3.2 p -68.57 -34.57 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.027 0.441 . . . . 0.0 110.633 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.8 mt -77.76 -42.6 33.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 110.646 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.55 -37.94 85.62 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.335 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . . . . . . . . . 11.3 p -71.8 -39.31 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.933 0.397 . . . . 0.0 110.999 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.67 68.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.128 0.49 . . . . 0.0 110.597 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . 0.427 ' HA ' HD21 ' A' 1159 ' ' LEU . 8.8 t -60.54 -34.19 73.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.582 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -68.91 -39.86 79.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.214 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 64.9 t -57.03 -55.0 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.684 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' 1061 ' ' GLU . 4.3 pp -64.15 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.981 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.455 ' N ' HD12 ' A' 1159 ' ' LEU . 14.5 t70 -61.55 -52.95 62.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -74.05 -29.94 62.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.74 73.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.64 0.257 . . . . 0.0 111.628 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 24.3 m -59.96 -47.47 85.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' 1168 ' ' GLU . 24.4 p -68.99 -22.63 64.08 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.652 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -66.28 -49.37 67.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . 0.565 ' HB ' HD13 ' A' 1054 ' ' LEU . 55.7 mt -64.41 -46.82 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.531 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' 1170 ' ' LYS . 2.5 mm-40 -60.96 -38.3 85.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1164 ' ' SER . 7.1 tp10 -58.38 -50.03 75.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.042 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.99 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' 1167 ' ' GLU . 54.2 mtpt -55.74 -51.0 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.218 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.464 -178.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 120.815 0.34 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' 1184 ' ' ARG . 4.1 mmp_? -55.34 -54.11 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.043 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.13 -37.93 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.42 67.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.332 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.68 -38.6 73.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.687 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.652 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.6 p -67.23 -34.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . 0.433 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -68.12 -46.23 71.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.255 0.55 . . . . 0.0 110.323 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1194 ' ' GLN . 54.2 tptt -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.222 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.745 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.638 HG21 HD12 ' A' 1165 ' ' LEU . 78.3 t -59.81 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' 1196 ' ' LEU . 31.9 m -66.04 -30.06 70.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1190 ' ' LYS . 24.5 mm-40 -64.49 -42.12 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.092 0.473 . . . . 0.0 109.941 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.24 75.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.611 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.896 ' HB3' HG23 ' A' 1095 ' ' THR . 67.8 mt -55.57 -50.98 68.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.288 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . 0.457 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.4 t30 -63.28 -32.55 74.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -66.73 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.788 0.327 . . . . 0.0 110.491 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.5 t -73.35 -47.81 39.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.799 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' 1197 ' ' ASN . 32.7 m -68.08 -21.91 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.381 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 34.9 t -77.14 -34.22 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.856 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 26.6 p -86.21 -1.07 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.908 HD11 HD23 ' A' 1091 ' ' LEU . 70.3 mt -66.49 144.57 98.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 N--CA 1.462 -0.37 0 C-N-CA 122.152 1.901 . . . . 0.0 110.588 171.678 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . 0.473 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 2.4 mp0 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.018 0.437 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.464 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 63.2 mtt -77.55 -34.98 53.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.325 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 21.7 m -68.89 -29.03 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.3 70.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.096 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' 1058 ' ' GLN . 61.3 tp -56.91 -43.98 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.517 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.7 m -53.48 -39.63 64.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' A' 1060 ' ' LEU . 47.0 t -64.72 -45.28 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 47.7 t -63.24 -39.29 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.564 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' 1062 ' ' LYS . 97.3 mt-30 -63.31 -34.09 76.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -72.88 -31.85 64.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' 1129 ' ' ARG . 97.3 mt -61.97 -52.0 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' 1159 ' ' LEU . 4.9 pt-20 -61.05 -41.56 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.716 0.293 . . . . 0.0 111.536 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1058 ' ' GLN . 53.9 mttm -71.28 -33.27 69.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.54 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -40.23 84.08 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 109.946 172.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.9 mt -63.75 -30.17 71.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.989 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' 1061 ' ' GLU . 28.9 mt-30 -59.98 -43.69 94.95 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.321 0.388 . . . . 0.0 111.07 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.625 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.594 ' HB ' ' HE ' ' A' 1136 ' ' ARG . 11.2 mt -75.71 -32.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.379 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -62.68 -46.08 89.83 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.04 73.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.623 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.38 75.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.727 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.8 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 110.694 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' 1072 ' ' ARG . 3.6 tmt_? -72.41 -44.37 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.02 -33.46 68.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.022 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 98.98 45.89 2.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.6 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -127.62 25.36 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.758 -0.221 . . . . 0.0 111.249 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.996 0.427 . . . . 0.0 110.606 175.22 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.9 p . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.1 tpp -54.83 -32.65 60.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.202 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.92 -47.85 67.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.902 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -76.86 -45.42 28.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 73.2 m -55.51 -46.42 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.533 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . . . . . . . . . 36.6 p -70.7 -35.35 72.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.281 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.42 -32.86 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.037 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.498 HD12 HD22 ' A' 1131 ' ' LEU . 23.1 tp -60.42 -49.44 77.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.78 175.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.67 95.94 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.34 177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -57.66 -47.54 82.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.486 ' O ' HG12 ' A' 1098 ' ' VAL . 19.3 m -64.15 -37.09 86.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 0.899 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.5 m -56.94 -53.18 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.083 0.468 . . . . 0.0 110.247 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -62.07 -35.62 79.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.51 -61.95 2.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.632 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.505 HG21 HD21 ' A' 1128 ' ' LEU . 5.9 p -72.01 -26.81 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.615 -175.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.4 t -63.09 -37.22 86.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.199 0.523 . . . . 0.0 110.087 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' 1104 ' ' LYS . 44.8 m -74.64 -25.39 59.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.449 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.481 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -76.11 -44.18 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.439 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.7 pt -64.57 -25.21 37.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.421 . . . . 0.0 110.793 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.18 -32.15 71.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.649 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 57.9 mttm -73.59 -35.56 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.76 -46.86 87.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.564 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 177.377 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.45 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.057 0.456 . . . . 0.0 110.726 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -80.27 -36.34 24.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.364 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.6 -47.69 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.977 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -72.45 -29.27 63.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.421 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . 0.464 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.02 -37.99 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -79.35 -24.93 42.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 109.992 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 6.3 t70 -72.73 -43.94 62.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.727 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -60.83 -43.35 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.92 -46.08 88.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.17 -40.44 99.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.422 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.98 94.96 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' 1124 ' ' VAL . 66.6 mt -69.43 -29.05 66.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.451 0.167 . . . . 0.0 111.323 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.734 ' HG2' HD21 ' A' 1060 ' ' LEU . 50.3 mtp180 -62.09 -53.55 53.83 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.208 0.528 . . . . 0.0 109.934 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' 1133 ' ' GLN . 22.2 m -65.89 -33.91 76.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.842 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.498 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -58.78 -49.36 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -65.67 -40.65 92.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' 1130 ' ' SER . 4.2 pt20 -64.23 -36.92 85.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.64 -42.7 67.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.643 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.82 76.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.62 ' HD3' HD22 ' A' 1152 ' ' LEU . 16.6 mmt-85 -68.79 -36.8 78.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.013 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.99 -45.06 94.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.646 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' 1142 ' ' THR . 83.6 t -53.96 -49.91 56.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.296 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' 1152 ' ' LEU . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.861 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.04 77.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.1 0.476 . . . . 0.0 110.77 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1137 ' ' GLY . 90.3 mt -75.2 -42.37 55.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.975 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.445 HG22 ' O ' ' A' 1138 ' ' VAL . 3.8 t -65.56 -46.72 78.41 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.331 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 50.7 m 64.61 10.3 5.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.689 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.2 t70 -85.73 117.84 69.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 O-C-N 122.371 -0.206 . . . . 0.0 110.6 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 12.2 Cg_exo -70.46 66.96 2.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.803 2.335 . . . . 0.0 112.267 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.21 -60.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.98 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 34.9 m -70.73 -24.76 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.791 ' O ' ' HG ' ' A' 1152 ' ' LEU . 54.2 mt-30 -57.37 -51.81 67.9 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.802 0.334 . . . . 0.0 110.314 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.59 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.694 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.474 ' HA ' HD13 ' A' 1150 ' ' ILE . 0.8 OUTLIER -72.43 -46.86 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.778 -175.617 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -68.02 -29.77 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.383 0.611 . . . . 0.0 111.029 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' 1148 ' ' GLN . 23.9 mt -77.56 -40.71 41.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.102 0.477 . . . . 0.0 109.782 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.48 -43.35 97.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.379 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.587 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 10.4 p -63.6 -45.82 88.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.979 0.175 . . . . 0.0 111.181 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -56.18 -43.11 78.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 111.018 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -37.57 74.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.046 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.4 -37.02 81.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' 1154 ' ' THR . 96.9 t -58.9 -53.64 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.008 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.559 ' CD1' ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -69.43 -30.53 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.059 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' 1159 ' ' LEU . 0.5 OUTLIER -57.63 -44.65 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.517 175.2 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.4 mptt -68.66 -43.45 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.42 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.722 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 27.7 t -62.14 -44.02 97.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -62.84 -39.24 93.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.264 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.54 -47.34 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.17 -44.97 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.462 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.35 -40.6 89.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.386 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . 0.451 ' OE2' ' HD3' ' A' 1184 ' ' ARG . 28.4 tp10 -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.087 176.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.69 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.815 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.56 -30.25 70.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 77.9 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.575 176.827 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' 1187 ' ' GLN . 54.2 mt-30 . . . . . 0 C--O 1.225 -0.192 0 CA-C-O 120.505 0.193 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.451 ' HD3' ' OE2' ' A' 1168 ' ' GLU . 89.0 mtt180 -52.21 -52.79 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.82 -38.26 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.964 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.02 94.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.446 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.6 mt-30 -72.54 -40.46 66.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' 1192 ' ' VAL . 10.3 p -70.8 -34.93 58.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.718 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 109.999 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' 1194 ' ' GLN . 63.0 tttm -62.33 -38.32 89.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.77 175.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.32 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.772 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' 1161 ' ' LYS . 59.9 t -56.19 -44.16 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.2 0.524 . . . . 0.0 109.932 175.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 21.8 m -60.82 -40.74 93.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.858 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 1190 ' ' LYS . 28.8 mm-40 -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.93 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' 1095 ' ' THR . 84.4 mt -58.48 -46.14 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.963 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.61 -37.58 86.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.655 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -65.99 -28.4 68.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.355 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . 0.587 ' SG ' ' HB ' ' A' 1154 ' ' THR . 90.9 m -69.0 -48.9 61.93 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.363 0.601 . . . . 0.0 109.909 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.5 m -73.94 -21.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 27.8 t -77.93 -40.01 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.064 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -76.06 -1.48 26.14 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.05 131.95 74.24 Favored Pre-proline 0 C--O 1.233 0.199 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.898 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 C--N 1.349 0.572 0 C-N-CA 124.374 3.383 . . . . 0.0 114.185 -178.81 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.974 0.416 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1050 ' ' MET . . . . . 0.55 ' CE ' ' HB1' ' A' 1117 ' ' ALA . 62.8 mtt -60.13 -33.49 72.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.516 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.24 -46.45 61.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1052 ' ' SER . . . . . . . . . . . . . 13.7 t -65.5 -43.21 90.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.073 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1053 ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' 1057 ' ' VAL . . . -59.66 -49.29 78.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.014 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1054 ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' 1058 ' ' GLN . 49.6 tp -59.19 -36.0 74.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1055 ' ' SER . . . . . . . . . . . . . 31.8 t -63.42 -44.82 93.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.521 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.3 m -71.27 -30.68 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.235 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1057 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1053 ' ' ALA . 47.5 t -66.98 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.151 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1058 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1054 ' ' LEU . 97.9 mt-30 -64.6 -32.7 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.231 0.538 . . . . 0.0 110.859 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -76.32 -25.44 54.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1060 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1056 ' ' VAL . 93.7 mt -75.34 -46.82 30.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1061 ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -57.93 -44.41 86.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.036 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1062 ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' 1066 ' ' GLU . 96.9 mttt -61.07 -38.69 87.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.303 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1063 ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' 1067 ' ' ILE . 18.8 t70 -63.89 -46.59 84.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.176 0.512 . . . . 0.0 110.049 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1064 ' ' LEU . . . . . 0.688 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.6 mt -69.04 -31.99 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.448 -175.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1065 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1061 ' ' GLU . 10.3 mm100 -68.01 -30.3 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.619 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1066 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1062 ' ' LYS . 48.5 mt-10 -68.52 -43.53 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1067 ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' 1064 ' ' LEU . 52.5 mt -63.17 -39.1 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.224 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.14 -43.79 92.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.417 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.34 87.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.724 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.41 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.124 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.54 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 111.075 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.76 -46.9 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.86 -47.31 75.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.038 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 111.29 31.46 2.82 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.598 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -118.44 25.47 10.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 111.101 177.13 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1083 ' ' THR . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.941 0.4 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1084 ' ' MET . . . . . 0.668 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 48.2 tpp -68.2 -28.35 67.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.541 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.04 -55.05 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.037 175.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.13 -51.71 65.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.247 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1087 ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' 1084 ' ' MET . 6.8 p -63.28 -44.09 96.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1088 ' ' THR . . . . . 0.424 HG22 HD22 ' A' 1203 ' ' LEU . 40.6 p -65.44 -38.29 89.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.812 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.38 -49.01 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.322 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.28 -31.82 73.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.234 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1091 ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' 1203 ' ' LEU . 19.8 tp -61.73 -48.9 78.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.913 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1092 ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.89 -41.02 98.89 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.043 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.67 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.54 0.21 . . . . 0.0 110.898 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1094 ' ' SER . . . . . 0.523 ' O ' HG12 ' A' 1098 ' ' VAL . 32.1 m -67.9 -36.19 79.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 0.0 110.098 175.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1095 ' ' THR . . . . . 1.02 HG23 ' HB3' ' A' 1196 ' ' LEU . 63.3 m -57.26 -57.52 12.27 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -64.6 -34.82 79.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -57.3 -61.29 2.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1098 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 1094 ' ' SER . 7.3 p -70.86 -28.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.138 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1099 ' ' SER . . . . . . . . . . . . . 33.8 t -64.36 -37.98 89.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.243 0.544 . . . . 0.0 110.107 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.8 t -72.14 -35.16 69.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.134 0.493 . . . . 0.0 109.956 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1101 ' ' ALA . . . . . 0.417 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -69.21 -40.36 78.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 28.0 pt -64.74 -26.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.889 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.88 -29.41 69.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.723 0.297 . . . . 0.0 110.617 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1104 ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' 1116 ' ' TYR . 14.3 mptt -75.68 -40.32 56.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.618 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1105 ' ' LEU . . . . . 0.477 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 40.6 mt -61.07 -34.97 75.75 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1106 ' ' LEU . . . . . 0.68 ' HG ' ' HB3' ' A' 1185 ' ' LEU . 11.0 mp . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.519 171.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1116 ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' 1104 ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.305 0.574 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1117 ' ' ALA . . . . . 0.55 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -61.73 -38.45 87.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.888 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.65 -50.58 58.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.252 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.31 -45.87 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.538 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1120 ' ' ALA . . . . . 0.477 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -65.09 -38.08 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.81 85.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.058 0.456 . . . . 0.0 110.917 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1122 ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' 1122 ' ' ARG . 43.5 ttp180 -75.12 -33.15 61.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 110.212 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1123 ' ' ASP . . . . . 0.417 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.1 t70 -69.63 -45.5 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.784 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.6 ' O ' HD22 ' A' 1128 ' ' LEU . 23.2 m -60.79 -39.37 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.946 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1125 ' ' ALA . . . . . 0.595 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -57.65 -46.63 83.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.86 -37.37 93.6 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.855 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.79 -43.87 98.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.159 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1128 ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' 1124 ' ' VAL . 0.1 OUTLIER -63.21 -38.77 92.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.514 0.197 . . . . 0.0 111.113 179.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1129 ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' 1125 ' ' ALA . 29.3 mtm180 -59.82 -54.14 49.76 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.168 0.508 . . . . 0.0 109.916 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.7 m -59.57 -42.45 92.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1131 ' ' LEU . . . . . 0.411 HD22 HD12 ' A' 1091 ' ' LEU . 1.1 tm? -58.16 -49.93 75.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.776 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1132 ' ' ALA . . . . . 0.688 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.358 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.51 -41.11 96.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.171 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.1 74.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.868 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.86 80.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.736 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1136 ' ' ARG . . . . . 0.497 ' HE ' HD11 ' A' 1067 ' ' ILE . 7.8 ptm180 -66.07 -24.5 66.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.398 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -73.6 -49.22 15.13 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.377 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1138 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 1087 ' ' CYS . 53.5 t -53.6 -48.65 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 122.402 0.281 . . . . 0.0 111.306 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.4 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.675 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.46 -46.0 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 110.826 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.34 -38.39 84.77 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.783 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1142 ' ' THR . . . . . 0.462 HG21 HG23 ' A' 1147 ' ' VAL . 12.6 t -75.12 150.93 38.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1143 ' ' SER . . . . . . . . . . . . . 26.7 m -114.1 4.25 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.723 0.297 . . . . 0.0 110.978 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1144 ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' 1148 ' ' GLN . 14.1 t70 -80.33 115.61 55.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -76.12 66.59 6.95 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.1 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.53 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.497 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 26.9 m -67.05 -25.83 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.108 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1148 ' ' GLN . . . . . 0.586 ' O ' ' HG ' ' A' 1152 ' ' LEU . 18.0 mt-30 -52.83 -53.96 41.16 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.242 0.544 . . . . 0.0 110.839 177.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.84 68.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1150 ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -72.75 -36.27 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.78 -174.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.29 -35.61 68.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.175 0.512 . . . . 0.0 110.445 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.9 mt -75.27 -42.28 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.371 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.41 -46.48 80.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1154 ' ' THR . . . . . 0.518 ' O ' HG23 ' A' 1158 ' ' VAL . 11.6 p -68.62 -41.01 80.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.2 0.524 . . . . 0.0 110.834 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -66.45 -32.98 74.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.836 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.08 -36.85 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1158 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 1154 ' ' THR . 75.5 t -57.0 -56.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.817 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -67.43 -30.36 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.874 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1160 ' ' ASP . . . . . 0.516 ' N ' HD12 ' A' 1159 ' ' LEU . 31.9 t70 -56.49 -48.4 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.2 mptt -76.18 -33.82 59.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1162 ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.34 -39.32 86.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 111.141 178.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.507 ' O ' ' HG3' ' A' 1167 ' ' GLU . 41.9 m -59.81 -52.1 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.025 176.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1164 ' ' SER . . . . . . . . . . . . . 27.0 m -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1165 ' ' LEU . . . . . 0.57 HD22 HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -66.04 -53.17 41.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.79 -44.44 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.453 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1167 ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' 1171 ' ' LYS . 53.2 mt-10 -60.5 -47.32 86.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -59.13 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.655 0.264 . . . . 0.0 110.609 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.83 73.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.049 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.454 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1171 ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' 1167 ' ' GLU . 27.3 mtpt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.628 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1183 ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' 1187 ' ' GLN . 6.4 tm0? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1184 ' ' ARG . . . . . 0.632 ' HA ' HE21 ' A' 1187 ' ' GLN . 57.7 mtt85 -65.41 -43.25 91.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1185 ' ' LEU . . . . . 0.68 ' HB3' ' HG ' ' A' 1106 ' ' LEU . 53.6 mt -56.97 -44.27 82.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.55 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.228 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1187 ' ' GLN . . . . . 0.632 HE21 ' HA ' ' A' 1184 ' ' ARG . 46.6 mt-30 -66.1 -50.65 63.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1188 ' ' VAL . . . . . 0.57 HG13 HD22 ' A' 1165 ' ' LEU . 7.9 p -70.77 -38.36 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.405 -175.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.18 86.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1190 ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' 1190 ' ' LYS . 12.3 tppt? -65.68 -39.78 91.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.731 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.957 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1192 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1188 ' ' VAL . 67.9 t -62.07 -47.12 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.434 . . . . 0.0 109.97 175.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1193 ' ' THR . . . . . . . . . . . . . 25.7 m -61.44 -38.25 86.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.107 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.29 -45.2 73.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.35 95.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1196 ' ' LEU . . . . . 1.02 ' HB3' HG23 ' A' 1095 ' ' THR . 76.2 mt -55.1 -50.11 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.949 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.17 -43.3 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.87 -24.88 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.746 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 19.6 t -73.15 -49.09 30.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1200 ' ' VAL . . . . . 0.559 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 16.3 m -70.51 -21.92 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.539 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1201 ' ' SER . . . . . . . . . . . . . 69.6 m -70.55 -25.43 63.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.605 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1202 ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 95.0 m -86.49 -5.19 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.499 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1203 ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' 1200 ' ' VAL . 74.2 mt -62.25 127.58 89.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1204 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 3.3 Cg_exo . . . . . 0 N--CA 1.455 -0.772 0 C-N-CA 123.263 2.642 . . . . 0.0 112.014 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.511 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 40.3 mm 54.96 78.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.649 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.15 123.14 59.92 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.47 52.42 2.78 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.88 2.386 . . . . 0.0 112.249 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 32.6 t80 -97.83 23.4 8.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.803 0.811 . . . . 0.0 109.36 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 3.5 p -82.8 11.54 5.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.15 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -77.74 -74.63 0.99 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.414 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.89 35.94 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.911 2.408 . . . . 0.0 113.307 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.52 -1.69 25.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.111 0.481 . . . . 0.0 111.481 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' 1118 ' ' GLY . 61.8 mm-40 -62.75 -34.93 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.544 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.8 mtt -65.6 -44.44 86.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.62 -40.06 94.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.259 0.552 . . . . 0.0 110.162 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 22.1 m -64.93 -39.21 93.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.655 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.95 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.732 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.34 -43.94 83.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.9 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 38.8 m -57.78 -41.32 81.8 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.594 ' O ' ' HG ' ' A' 1060 ' ' LEU . 60.5 t -61.58 -46.45 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.615 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.3 t -65.84 -38.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' 1061 ' ' GLU . 98.5 mt-30 -67.78 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 177.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -76.62 -27.93 55.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.381 172.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.684 HD21 ' HG2' ' A' 1129 ' ' ARG . 78.9 mt -69.25 -43.88 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' 1065 ' ' GLN . 1.5 pt-20 -59.98 -43.84 94.86 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.278 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -71.92 -26.18 62.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.07 -49.76 73.23 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.578 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.4 mt -75.0 -21.44 59.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1061 ' ' GLU . 13.0 mm100 -57.44 -46.62 83.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.037 0.446 . . . . 0.0 110.367 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.42 -36.65 84.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.136 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' 1064 ' ' LEU . 81.4 mt -71.72 -37.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.384 -177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 56.8 mttm -55.68 -51.79 66.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.462 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.74 94.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.553 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -63.43 -46.29 87.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.151 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.641 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' 1072 ' ' ARG . 0.6 OUTLIER -59.81 -42.94 94.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.1 176.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.986 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.19 29.78 2.9 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.936 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . 0.582 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 60.2 mttp -90.09 -84.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' 1140 ' ' ALA . 24.2 mt 47.97 -164.51 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.509 0.506 . . . . 0.0 112.278 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' 1077 ' ' LYS . 15.8 tppt? -125.21 85.31 58.37 Favored Pre-proline 0 N--CA 1.439 -1.007 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.35 27.98 0.56 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.449 2.766 . . . . 0.0 113.346 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 11.2 mp -76.75 115.42 47.91 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.358 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 2.0 Cg_endo -83.72 30.12 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.537 2.825 . . . . 0.0 112.805 -177.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.45 65.65 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.3 113.09 25.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 3.9 p -73.18 155.43 39.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.865 0.364 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 51.2 ttm -59.15 -34.22 71.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.294 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.13 -38.14 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.686 0.279 . . . . 0.0 110.85 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -77.22 -40.38 45.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.744 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.0 m -65.4 -41.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.105 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . 0.498 HG22 HD13 ' A' 1203 ' ' LEU . 24.8 p -71.33 -33.31 69.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -67.71 -45.11 76.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.077 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.7 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.73 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.713 HD23 HD11 ' A' 1203 ' ' LEU . 21.4 tp -59.06 -45.64 90.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.574 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.451 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -61.54 -42.1 99.7 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.924 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.29 -42.24 84.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.527 0.203 . . . . 0.0 110.681 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 43.2 m -58.14 -41.26 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.969 0.414 . . . . 0.0 110.158 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' 1196 ' ' LEU . 81.3 m -56.82 -54.82 42.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.823 176.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1092 ' ' GLY . 61.9 mttm -65.38 -33.33 75.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.23 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.405 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' 1124 ' ' VAL . 7.5 p -71.24 -23.56 23.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.969 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 70.4 m -64.93 -33.23 75.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.181 0.515 . . . . 0.0 110.189 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.37 -32.9 60.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.734 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.55 81.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.665 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' 1106 ' ' LEU . 38.6 pt -64.41 -30.69 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.925 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.77 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.147 0.498 . . . . 0.0 110.57 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -75.1 -32.48 61.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.407 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.16 -38.08 69.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 110.517 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' 1189 ' ' ALA . 4.6 mm? -80.84 8.6 7.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.322 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -98.76 117.94 6.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.876 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 63.61 -160.65 0.3 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.668 0.387 . . . . 0.0 110.428 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.48 HG12 ' HA2' ' A' 1177 ' ' GLY . 7.0 tp -139.59 137.6 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -84.36 109.75 18.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.125 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . 0.562 ' HG2' ' HA ' ' A' 1176 ' ' PRO . 16.3 mt-30 -102.99 91.93 4.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.925 -176.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 84.26 -57.73 5.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.533 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 57.5 t30 -147.08 134.35 20.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.483 ' OE1' ' HB2' ' A' 1116 ' ' TYR . 0.9 OUTLIER -161.72 140.65 9.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -89.11 -44.46 10.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . 0.483 ' HB2' ' OE1' ' A' 1114 ' ' GLU . 55.0 m-85 -59.44 -41.44 89.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 120.908 0.385 . . . . 0.0 110.281 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.544 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -51.17 -43.12 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.065 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' 1049 ' ' GLU . . . -75.6 -40.74 31.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.233 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.79 -42.17 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.339 . . . . 0.0 111.009 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.91 74.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.662 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.73 -33.74 76.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.164 0.507 . . . . 0.0 110.403 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -71.79 -36.26 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.182 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.68 -40.3 80.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.301 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -63.65 -43.84 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.616 176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.58 -43.53 84.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.832 0.348 . . . . 0.0 110.993 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.23 -42.07 99.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.391 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . 0.466 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -64.43 -38.2 95.48 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.952 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' 1124 ' ' VAL . 63.6 mt -68.81 -35.67 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.556 0.217 . . . . 0.0 110.961 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.684 ' HG2' HD21 ' A' 1060 ' ' LEU . 33.6 mtp180 -61.84 -51.29 68.82 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.197 0.523 . . . . 0.0 110.0 175.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.5 t -57.88 -40.42 80.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.296 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.48 HD22 HD12 ' A' 1091 ' ' LEU . 1.7 tm? -59.97 -56.27 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.952 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.578 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.4 -41.71 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.935 -177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -65.5 -37.66 87.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.595 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.76 68.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.663 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.403 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -64.32 -45.97 85.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.481 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.52 ' HD2' HD13 ' A' 1067 ' ' ILE . 35.2 ptt180 -67.95 -25.57 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.627 -178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.4 -45.13 70.57 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 55.9 t -54.63 -46.45 72.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.402 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -63.9 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.428 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.19 -26.76 56.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.459 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.4 mt -80.8 -36.87 31.14 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.348 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.409 HG21 HG23 ' A' 1147 ' ' VAL . 9.9 t -80.77 150.43 29.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.196 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 32.2 p -109.7 4.3 21.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.736 0.303 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -85.87 112.95 48.76 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.664 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.55 67.05 5.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.096 2.53 . . . . 0.0 111.931 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.43 -55.48 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.207 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.517 ' O ' HG12 ' A' 1151 ' ' VAL . 29.8 m -69.4 -27.25 33.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.52 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.3 mt-30 -57.38 -46.04 83.82 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 177.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.62 -33.74 62.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -38.65 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.511 -175.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -71.15 -33.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -78.15 -41.59 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.266 0.555 . . . . 0.0 110.207 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.7 -45.31 85.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.297 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.558 ' O ' HG23 ' A' 1158 ' ' VAL . 9.4 p -64.3 -42.64 96.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.848 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.39 -36.84 81.41 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.09 0.471 . . . . 0.0 110.788 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.3 m -71.28 -34.76 70.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.9 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.257 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' 1154 ' ' THR . 99.1 t -58.46 -59.23 3.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' 1160 ' ' ASP . 4.5 pp -64.81 -30.36 71.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' 1159 ' ' LEU . 13.3 t70 -57.23 -53.43 58.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.493 0.663 . . . . 0.0 110.265 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -34.95 72.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.27 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.33 -28.37 69.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.112 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.583 ' O ' ' HG3' ' A' 1167 ' ' GLU . 53.8 m -61.17 -54.05 49.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 50.9 m -68.86 -23.47 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' 1162 ' ' ALA . 45.2 tp -59.57 -46.96 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 67.9 mt -73.5 -39.15 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.982 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' 1163 ' ' SER . 47.2 mt-10 -56.31 -50.71 70.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.513 ' HA ' ' HD3' ' A' 1171 ' ' LYS . 7.1 tp10 -60.86 -43.58 98.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.36 92.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.069 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.56 -46.03 73.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' 1168 ' ' GLU . 30.9 mtpt -69.83 -41.0 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.396 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.29 -31.57 72.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.305 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 35.4 t -65.47 -20.69 66.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.58 11.01 66.86 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.767 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.596 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 12.2 m-70 -123.95 117.78 27.1 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' A' 1111 ' ' GLN . 23.3 Cg_exo -68.96 56.07 1.01 Allowed 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 123.727 2.952 . . . . 0.0 112.319 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . 0.48 ' HA2' HG12 ' A' 1109 ' ' ILE . . . 94.45 78.33 1.41 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.596 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 16.1 t70 -99.39 127.58 34.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.529 ' O ' ' HG3' ' A' 1183 ' ' GLN . 29.9 Cg_endo -64.76 -52.36 1.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.538 2.158 . . . . 0.0 112.61 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -66.72 -41.95 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 51.1 m -57.4 -45.24 84.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.042 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -69.88 -34.44 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.565 0.221 . . . . 0.0 111.072 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' 1179 ' ' PRO . 97.2 mt-30 -60.32 -48.49 81.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.169 0.509 . . . . 0.0 110.208 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.453 ' HA ' HE21 ' A' 1187 ' ' GLN . 28.0 mtm-85 -71.68 -35.2 70.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.571 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' 1168 ' ' GLU . 15.7 tp -61.43 -41.32 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.662 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.39 94.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.843 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' 1184 ' ' ARG . 48.0 mt-30 -63.81 -47.99 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' 1192 ' ' VAL . 11.1 p -71.48 -29.6 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.686 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.46 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.163 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -67.99 -32.45 72.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.792 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.31 83.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 110.542 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1188 ' ' VAL . 61.3 t -63.91 -43.89 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.743 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 16.8 m -60.63 -42.32 96.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.899 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' 1190 ' ' LYS . 27.2 mm-40 -63.4 -41.74 98.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.08 -43.82 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.942 ' HB3' HG23 ' A' 1095 ' ' THR . 84.5 mt -57.55 -49.25 76.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.6 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.58 -29.76 70.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.793 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -75.49 -31.13 60.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.8 t -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 24.0 m -67.02 -24.0 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.93 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.0 t -78.37 -38.27 42.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -80.1 -1.74 41.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.713 HD11 HD23 ' A' 1091 ' ' LEU . 93.8 mt -59.44 138.63 89.09 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.31 106.45 1.21 Allowed 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.488 2.125 . . . . 0.0 111.976 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -136.4 27.69 2.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -82.85 98.76 9.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.971 0.415 . . . . 0.0 110.217 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' 1207 ' ' ARG . 46.4 mtm105 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.024 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 62.4 mt -96.47 96.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.251 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.769 ' HB2' ' HD2' ' A' 1043 ' ' PRO . 7.5 p-10 -171.55 175.1 1.3 Allowed Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.769 ' HD2' ' HB2' ' A' 1042 ' ' ASP . 12.1 Cg_endo -57.29 88.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.433 2.089 . . . . 0.0 112.451 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -177.04 93.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.94 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 15.2 t -145.81 2.4 0.92 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -74.01 -63.42 2.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.253 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -87.24 39.34 0.58 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.385 2.723 . . . . 0.0 111.062 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.12 -21.4 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.047 -173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.4 -34.07 66.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.807 0.337 . . . . 0.0 110.965 -175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 20.1 mtt -71.26 -44.41 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.136 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -72.45 -31.96 65.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.401 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . 0.403 ' O ' HG23 ' A' 1056 ' ' VAL . 24.0 m -62.69 -46.14 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 173.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.57 96.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' 1057 ' ' VAL . 48.6 tp -60.54 -39.37 87.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.727 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -44.84 95.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' 1060 ' ' LEU . 82.9 t -67.86 -45.83 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.236 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.1 p -63.25 -33.09 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.035 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.518 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 72.1 mt-30 -67.58 -39.01 84.85 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.682 0.277 . . . . 0.0 110.671 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -63.39 -45.99 88.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' 1057 ' ' VAL . 80.1 mt -57.95 -49.59 76.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.272 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.585 ' CB ' HD13 ' A' 1159 ' ' LEU . 12.2 pt-20 -66.45 -38.6 87.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.158 -176.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.95 -33.7 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.049 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' 1067 ' ' ILE . 0.6 OUTLIER -58.88 -48.46 81.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.096 0.474 . . . . 0.0 109.775 172.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.524 HD23 HD12 ' A' 1067 ' ' ILE . 77.2 mt -64.07 -27.86 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.29 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' 1061 ' ' GLU . 81.0 mt-30 -66.51 -40.65 89.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.101 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -66.44 -43.46 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.938 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.606 HG22 HD13 ' A' 1152 ' ' LEU . 61.9 mt -65.32 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.64 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 36.4 ttmt -61.78 -41.28 97.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 110.313 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.85 79.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.421 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.93 91.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.798 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.82 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.256 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.457 ' O ' ' HD3' ' A' 1072 ' ' ARG . 8.1 tpp180 -57.79 -52.22 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.48 -27.64 56.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.68 45.71 2.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -119.07 23.02 11.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.735 0.302 . . . . 0.0 110.748 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' 1078 ' ' PRO . 96.4 mt -63.35 163.65 10.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.369 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.574 ' HB3' HD13 ' A' 1079 ' ' LEU . 31.5 mmmt -93.09 104.19 11.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' 1076 ' ' LEU . 10.3 Cg_endo -88.28 30.92 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.355 2.703 . . . . 0.0 112.676 -175.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' 1077 ' ' LYS . 10.0 mp -65.96 135.22 95.21 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.449 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.64 145.63 23.33 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.522 2.148 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 151.44 -56.45 0.45 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.624 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . 0.451 ' O ' HD11 ' A' 1141 ' ' LEU . 10.5 mm-40 -85.8 107.64 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 44.7 p -77.02 155.83 32.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . 0.596 ' SD ' ' HB2' ' A' 1206 ' ' GLN . 50.4 ttm -67.47 -30.83 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.436 ' OE1' ' HB ' ' A' 1083 ' ' THR . 3.3 mp0 -57.76 -53.14 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 40.3 tptt -53.75 -52.33 60.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.641 174.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' 1091 ' ' LEU . 72.6 m -59.38 -54.3 48.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.981 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.1 p -67.28 -38.59 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -70.84 -48.25 55.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.76 -29.66 67.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.641 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.822 HD23 HD11 ' A' 1203 ' ' LEU . 17.4 tp -60.47 -49.48 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.918 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.46 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.03 -37.23 94.09 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.4 178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.62 -38.7 77.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.664 0.269 . . . . 0.0 110.91 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.461 ' O ' HG12 ' A' 1098 ' ' VAL . 51.1 m -68.12 -33.33 74.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 174.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.913 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.1 m -58.56 -57.39 13.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.026 176.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -62.65 -38.27 89.64 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.19 -58.33 8.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.283 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.3 p -73.67 -23.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.15 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 34.8 t -63.85 -38.73 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 0.0 110.275 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 34.5 t -75.05 -28.15 60.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.46 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -71.24 -46.02 62.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.519 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' 1189 ' ' ALA . 13.1 pt -65.44 -28.45 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -68.27 -31.71 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.329 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 54.3 mtmt -75.74 -26.22 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.812 176.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.425 HD11 HG11 ' A' 1124 ' ' VAL . 71.6 mt -68.07 -25.64 65.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.643 HD23 HD12 ' A' 1185 ' ' LEU . 97.0 mt -59.57 114.11 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.822 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -166.95 -162.99 19.96 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -99.37 -49.05 4.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.096 0.474 . . . . 0.0 110.287 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' 1111 ' ' GLN . 22.5 pt -138.8 165.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.531 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -113.72 25.14 11.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.239 0.542 . . . . 0.0 109.863 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . 0.558 ' HB2' HD12 ' A' 1109 ' ' ILE . 15.3 mm100 -74.58 -179.93 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.336 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -58.19 -35.77 79.3 Favored Glycine 0 C--N 1.33 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.314 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 11.4 t30 -57.55 -35.53 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.939 0.4 . . . . 0.0 110.912 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -103.34 78.91 1.66 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.055 0.455 . . . . 0.0 110.382 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 20.8 m120 -67.63 -20.21 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -57.02 -27.42 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.22 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.28 -46.39 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.202 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -74.7 -40.73 36.84 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.067 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 49.6 mt -60.93 -44.67 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.854 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.05 62.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.324 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.41 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.51 -31.49 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -75.33 -33.73 61.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.197 0.522 . . . . 0.0 109.796 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -70.77 -43.37 68.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.78 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 26.4 m -62.98 -42.04 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.686 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -56.19 -42.94 77.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.657 0.265 . . . . 0.0 110.856 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.88 98.38 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.385 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . 0.403 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -69.96 -42.69 68.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 70.9 mt -65.7 -40.56 92.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.52 0.2 . . . . 0.0 111.39 -176.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.552 ' O ' ' HG3' ' A' 1133 ' ' GLN . 14.4 ptm180 -69.69 -36.13 75.71 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.669 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 17.4 m -70.24 -36.12 74.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.015 0.435 . . . . 0.0 110.064 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.53 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -56.21 -49.02 75.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.465 175.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.33 -44.31 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.618 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.5 mt-30 -58.81 -49.47 77.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.608 -177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . 0.511 ' HB3' HD13 ' A' 1091 ' ' LEU . . . -65.47 -38.3 89.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.478 -176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.94 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.007 0.432 . . . . 0.0 111.199 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.404 ' HG2' HD13 ' A' 1067 ' ' ILE . 58.3 mtp180 -60.75 -40.04 90.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.55 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.93 -48.9 71.65 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.074 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.472 ' HB ' HG21 ' A' 1151 ' ' VAL . 97.7 t -53.1 -49.95 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 0.0 111.22 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.64 91.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.721 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -72.88 -26.37 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.426 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' 1137 ' ' GLY . 88.5 mt -84.11 -42.28 16.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.41 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.452 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -71.24 145.75 49.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.754 -176.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 11.7 t -104.35 3.38 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.7 t70 -89.23 112.17 49.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.783 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -73.33 66.97 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.816 2.344 . . . . 0.0 111.84 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . 0.411 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -164.74 -56.02 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.085 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' 1151 ' ' VAL . 24.5 m -66.52 -25.64 35.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.61 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' 1152 ' ' LEU . 97.8 mt-30 -54.36 -49.36 69.99 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.411 0.624 . . . . 0.0 110.479 175.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.37 59.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.523 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.43 -40.57 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.522 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' 1147 ' ' VAL . 3.8 p -67.63 -34.35 67.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.05 0.452 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.2 mt -77.86 -43.34 30.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.233 0.539 . . . . 0.0 110.33 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . 0.655 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 25.9 t70 -61.59 -41.29 97.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.051 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.519 ' O ' HG23 ' A' 1158 ' ' VAL . 18.0 p -66.05 -46.98 75.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.02 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.07 99.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.968 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . 0.784 ' HA ' HD11 ' A' 1159 ' ' LEU . 23.3 t -66.99 -24.51 66.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.313 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD2' ' A' 1161 ' ' LYS . 30.4 t70 -78.35 -31.06 48.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1154 ' ' THR . 92.1 t -63.05 -62.36 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.081 0.467 . . . . 0.0 111.14 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' 1156 ' ' SER . 0.2 OUTLIER -65.78 -28.32 68.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.303 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' 1157 ' ' ASP . 5.7 t70 -47.01 -53.04 13.36 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.29 0.566 . . . . 0.0 111.054 173.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' A' 1157 ' ' ASP . 7.2 mttp -77.52 -26.68 51.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.177 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.86 -35.76 82.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.77 0.319 . . . . 0.0 110.578 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 54.0 m -61.34 -49.62 76.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 4.1 p -69.85 -26.6 64.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.583 0.23 . . . . 0.0 110.885 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.778 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.6 tt -61.28 -52.29 65.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.98 -41.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.924 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' 1171 ' ' LYS . 45.5 mt-10 -59.68 -53.9 52.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.919 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.96 -31.25 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.005 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.85 83.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.132 0.491 . . . . 0.0 110.667 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.77 -38.41 91.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.163 0.506 . . . . 0.0 109.643 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' 1167 ' ' GLU . 5.6 mptp? -70.84 -23.92 62.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.067 176.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.673 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -61.95 -28.02 69.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.801 0.334 . . . . 0.0 110.704 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . 0.525 ' HB3' ' OE1' ' A' 1111 ' ' GLN . 20.8 m -68.15 -14.21 62.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.714 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -109.97 8.22 31.45 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.674 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.673 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 97.1 m-70 -105.14 98.46 16.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 173.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.45 88.55 1.35 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.424 2.083 . . . . 0.0 112.523 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 60.9 58.64 12.7 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.265 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -103.67 118.08 58.3 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.689 0.28 . . . . 0.0 110.954 -175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.9 -34.73 70.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.991 2.461 . . . . 0.0 112.571 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1184 ' ' ARG . 16.3 mm-40 -64.22 -43.64 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.152 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' 1184 ' ' ARG . 39.3 m -62.36 -32.68 73.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.134 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.112 0.482 . . . . 0.0 110.313 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -78.96 -49.81 12.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.287 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' 1180 ' ' GLU . 46.6 mtp85 -54.14 -50.36 67.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.77 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.643 HD12 HD23 ' A' 1106 ' ' LEU . 0.2 OUTLIER -62.93 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.418 -177.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.28 99.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.233 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.16 -50.3 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.613 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.778 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.3 p -65.16 -32.15 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.593 0.235 . . . . 0.0 111.258 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.519 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -65.63 -48.24 72.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.967 0.413 . . . . 0.0 110.627 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 15.0 mmmm -73.17 -23.1 60.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.74 95.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.119 0.485 . . . . 0.0 109.983 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1188 ' ' VAL . 60.9 t -65.64 -37.9 81.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.054 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 6.9 m -59.18 -46.43 88.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.678 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -70.95 -31.31 67.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.48 90.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.009 0.433 . . . . 0.0 110.008 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.913 ' HB3' HG23 ' A' 1095 ' ' THR . 70.5 mt -56.77 -50.77 71.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.243 174.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.15 -42.75 77.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.34 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -60.9 -37.33 81.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.6 t -72.93 -47.42 45.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.296 0.57 . . . . 0.0 110.114 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 20.6 m -68.45 -21.38 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.905 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 66.8 m -77.16 -37.9 52.89 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 25.7 p -83.14 -1.33 52.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.699 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.822 HD11 HD23 ' A' 1091 ' ' LEU . 72.3 mt -62.4 130.09 92.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.9 144.09 21.31 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.46 2.106 . . . . 0.0 111.103 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -90.79 6.0 82.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.473 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.596 ' HB2' ' SD ' ' A' 1084 ' ' MET . 65.0 tt0 58.55 76.0 0.36 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.129 -175.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.362 -179.469 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 25.2 pt -77.49 -0.98 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.547 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.88 137.23 22.24 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.68 101.83 0.81 Allowed 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.711 2.274 . . . . 0.0 111.18 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 28.4 t80 -123.33 20.7 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.487 0.661 . . . . 0.0 110.246 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 6.2 p -89.79 -5.43 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.605 0.717 . . . . 0.0 110.169 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -150.83 75.54 0.25 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.811 175.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.41 32.44 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.716 2.944 . . . . 0.0 113.642 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 94.4 mt -89.09 31.59 0.87 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.45 -20.6 65.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.176 -173.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.555 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 41.6 mtt -63.13 -36.37 83.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.288 174.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 1056 ' ' VAL . 23.3 m -64.81 -47.2 78.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.994 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1057 ' ' VAL . . . -57.21 -41.38 79.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.304 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.427 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 27.0 t -62.9 -37.27 86.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' 1052 ' ' SER . 93.8 t -58.86 -49.48 82.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.309 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -55.64 -43.08 71.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 110.534 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.58 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 78.5 mt-30 -61.92 -27.9 69.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.635 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -67.13 -48.76 67.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.247 -0.283 . . . . 0.0 110.556 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' 1132 ' ' ALA . 3.7 mm? -62.67 -43.99 97.4 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.58 ' HG2' ' HA ' ' A' 1058 ' ' GLN . 11.5 pt-20 -60.36 -40.48 90.89 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.181 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' 1058 ' ' GLN . 57.2 mttm -72.57 -33.31 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.981 0.419 . . . . 0.0 110.525 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.88 -50.89 70.39 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.841 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.664 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.5 mt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.087 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' 1061 ' ' GLU . 72.1 mt-30 -61.89 -31.25 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.868 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -70.83 -46.51 62.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.805 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.453 HG23 HD21 ' A' 1076 ' ' LEU . 2.7 mp -65.86 -36.36 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.071 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -58.99 -48.66 80.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.12 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.16 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.953 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -69.17 -35.28 76.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 0.0 110.812 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -66.04 -47.01 75.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 39.0 t70 -77.81 -35.81 50.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.995 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 104.18 44.3 1.63 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.54 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -122.25 17.38 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.248 0.219 . . . . 0.0 111.269 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' 1071 ' ' ALA . 20.2 mt -66.41 157.87 30.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.977 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' 1077 ' ' LYS . 2.3 mptp? -107.84 101.34 40.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.866 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.47 -19.65 6.29 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.471 2.114 . . . . 0.0 113.833 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.615 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 10.3 mp -77.15 -49.15 2.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 16.8 Cg_exo -71.26 -154.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.125 1.883 . . . . 0.0 111.059 165.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 81.13 2.61 90.55 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.777 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.56 -157.09 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.984 0.514 . . . . 0.0 110.963 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.0 p -95.15 147.17 23.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.945 0.402 . . . . 0.0 111.51 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.4 tpp -68.1 -35.62 78.45 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.05 -40.2 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.781 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 74.0 tttt -70.69 -55.47 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.547 175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' 1091 ' ' LEU . 77.6 m -53.7 -46.37 70.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.523 -172.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 20.6 p -67.64 -45.69 74.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.823 0.344 . . . . 0.0 111.498 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -70.61 -41.9 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.09 -34.17 75.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.793 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -60.19 -43.91 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -65.43 -36.38 92.54 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.068 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . 0.504 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.0 m-20 -70.72 -38.23 73.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.709 -0.289 . . . . 0.0 110.524 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.42 ' O ' HG12 ' A' 1098 ' ' VAL . 31.7 m -64.0 -38.73 92.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 0.0 109.888 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.844 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.5 m -56.61 -56.33 22.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.24 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 0.1 OUTLIER -67.18 -34.87 78.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -178.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -56.0 -55.76 28.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.062 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.529 HG21 HD21 ' A' 1128 ' ' LEU . 13.6 p -75.71 -22.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.4 97.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.148 0.499 . . . . 0.0 109.823 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 31.8 m -73.51 -24.4 60.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.394 0.616 . . . . 0.0 110.246 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -72.89 -49.22 31.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.449 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.2 pt -65.46 -23.18 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.702 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.01 -30.36 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.803 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.13 -28.55 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.782 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.32 -37.58 68.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.543 HD23 HD12 ' A' 1185 ' ' LEU . 97.5 mt -75.52 86.45 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.682 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -128.85 175.28 18.82 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.401 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . 0.43 ' HB3' ' H ' ' A' 1109 ' ' ILE . 7.6 mp0 -90.27 -153.08 0.28 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.552 HG12 ' HA3' ' A' 1177 ' ' GLY . 37.4 mt -76.39 77.54 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.424 0.63 . . . . 0.0 109.808 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -115.94 9.44 14.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.96 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.51 155.77 28.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.208 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 131.2 -28.96 3.56 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -172.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -125.5 128.14 47.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.255 -0.973 . . . . 0.0 108.43 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.32 5.56 10.19 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -169.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -65.02 -56.29 13.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -56.9 -43.74 81.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.694 0.283 . . . . 0.0 111.576 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.87 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -67.25 -49.26 53.82 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.292 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.59 -46.23 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -63.85 -48.07 78.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.649 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.555 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -67.43 -30.66 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.34 0.59 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -71.07 -35.11 71.76 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.002 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -76.82 -36.96 56.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.175 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' 1128 ' ' LEU . 31.6 m -65.75 -39.9 86.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.788 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.01 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.007 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.64 -37.59 94.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.519 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . 0.467 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -76.3 -38.55 33.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.246 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' 1124 ' ' VAL . 61.2 mt -68.45 -40.5 81.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.258 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.497 ' HA ' ' HG ' ' A' 1060 ' ' LEU . 40.0 ptt180 -66.71 -31.46 72.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.416 . . . . 0.0 110.494 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 31.5 t -75.52 -38.9 59.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.923 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.406 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.35 -52.74 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.27 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' 1060 ' ' LEU . . . -60.81 -38.67 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.322 -175.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -64.04 -46.64 83.51 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -64.39 -33.09 75.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.536 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.48 -32.92 74.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1132 ' ' ALA . 58.7 mtm180 -65.77 -40.44 92.02 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.388 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.662 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -50.93 58.51 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.684 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 93.6 t -50.72 -48.48 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.727 0.298 . . . . 0.0 111.379 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -59.63 -46.01 90.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.879 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.07 75.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.874 0.369 . . . . 0.0 111.451 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' 1137 ' ' GLY . 47.6 mt -81.13 -36.55 30.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.678 -174.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.472 HG21 HG23 ' A' 1147 ' ' VAL . 15.2 t -69.35 -29.51 67.33 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.552 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 27.5 t 73.07 -39.98 0.46 Allowed 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 174.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.415 ' HB3' HG22 ' A' 1147 ' ' VAL . 11.1 t70 -56.3 118.12 19.98 Favored Pre-proline 0 N--CA 1.466 0.351 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -175.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -74.81 66.91 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.979 2.453 . . . . 0.0 111.778 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.45 -55.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.707 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.472 HG23 HG21 ' A' 1142 ' ' THR . 27.0 m -67.88 -27.2 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.302 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.654 ' O ' ' HG ' ' A' 1152 ' ' LEU . 95.2 mt-30 -57.4 -46.23 83.7 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.127 0.489 . . . . 0.0 110.186 172.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.23 -34.59 75.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.61 -40.77 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.685 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' 1147 ' ' VAL . 4.9 p -67.06 -37.72 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1148 ' ' GLN . 29.4 mt -75.86 -42.21 50.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 110.172 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.61 -44.17 96.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.453 ' O ' HG23 ' A' 1158 ' ' VAL . 17.5 p -67.41 -40.55 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.599 0.238 . . . . 0.0 110.853 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.67 84.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.048 0.452 . . . . 0.0 110.524 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . 0.468 ' HA ' ' HG ' ' A' 1159 ' ' LEU . 26.2 t -66.54 -43.23 85.67 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 176.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . 0.497 ' O ' ' HD3' ' A' 1161 ' ' LYS . 24.8 t70 -56.25 -32.91 64.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 110.008 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' 1154 ' ' THR . 97.8 t -61.37 -56.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.633 174.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -71.37 -30.96 66.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.673 -175.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' 1159 ' ' LEU . 8.5 m-20 -58.38 -48.41 80.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.115 0.483 . . . . 0.0 110.048 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' 1157 ' ' ASP . 4.8 mptp? -75.69 -34.44 60.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.683 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.55 -37.0 79.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.682 177.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1167 ' ' GLU . 22.7 t -59.24 -54.51 46.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.555 175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.3 t -64.02 -29.77 70.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.779 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.734 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.3 tt -61.76 -50.51 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 177.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 74.9 mt -72.13 -39.34 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.055 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.4 mt-10 -63.77 -41.43 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.652 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.645 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 20.6 tp10 -64.22 -44.96 90.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.281 174.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.63 75.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -56.48 -39.28 72.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 42.3 mtmt -80.36 -42.68 22.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.385 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.61 71.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.829 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 49.8 m -65.07 -30.51 71.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 0.0 110.923 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -80.39 6.51 60.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.78 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.921 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 15.2 m-70 -122.16 106.4 36.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -70.74 90.04 0.62 Allowed 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.693 2.262 . . . . 0.0 112.568 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' 1109 ' ' ILE . . . 73.02 59.9 4.09 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.664 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.921 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 13.5 t70 -97.54 119.36 62.89 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.525 0.202 . . . . 0.0 110.949 -174.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.63 -33.91 76.08 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' 1184 ' ' ARG . 37.6 mt-10 -74.63 -44.76 48.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.525 -177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 48.8 m -66.82 -41.96 86.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.183 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -64.28 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.799 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -69.99 -37.38 75.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.826 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 1180 ' ' GLU . 36.8 mtt180 -64.68 -42.5 95.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.543 HD12 HD23 ' A' 1106 ' ' LEU . 0.3 OUTLIER -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.022 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.65 93.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -61.5 -47.07 87.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.515 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.734 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.6 p -74.25 -34.04 36.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -174.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.05 90.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.413 0.625 . . . . 0.0 109.762 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 52.6 tttp -62.88 -40.51 97.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.047 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -61.01 -45.98 92.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.071 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.722 HG21 HD12 ' A' 1165 ' ' LEU . 61.8 t -60.01 -39.7 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.439 . . . . 0.0 110.152 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 31.3 m -59.92 -43.0 95.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.592 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.93 -38.89 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.848 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.702 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.844 ' HB3' HG23 ' A' 1095 ' ' THR . 69.0 mt -53.98 -51.19 64.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.493 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.407 ' O ' HG22 ' A' 1200 ' ' VAL . 0.7 OUTLIER -55.56 -51.34 67.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.477 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -68.53 -23.69 64.56 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.195 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 16.7 t -73.5 -47.93 37.26 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' 1197 ' ' ASN . 11.2 m -69.79 -23.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.073 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.1 -31.31 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.283 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.6 p -86.25 -1.84 57.84 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 122.226 -0.296 . . . . 0.0 111.398 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.793 HD11 HD23 ' A' 1091 ' ' LEU . 89.9 mt -70.08 134.07 87.61 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.99 116.21 4.64 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.593 2.195 . . . . 0.0 110.181 166.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -80.46 48.58 3.67 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.339 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 58.5 95.03 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.54 0.686 . . . . 0.0 111.108 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.102 179.553 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 37.6 pt -111.97 165.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.593 0.235 . . . . 0.0 110.763 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' 1043 ' ' PRO . 38.9 t70 -68.12 115.93 33.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.838 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1042 ' ' ASP . 5.5 Cg_endo -85.38 72.67 4.33 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.163 2.575 . . . . 0.0 113.131 -173.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . 0.472 ' HD2' ' HG3' ' A' 1047 ' ' PRO . 12.4 m-85 -120.49 -113.97 0.32 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.288 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 59.6 p 62.28 -32.26 0.09 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.259 1.424 . . . . 0.0 113.526 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' 1044 ' ' PHE . . . -146.41 54.67 0.54 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.882 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . 0.472 ' HG3' ' HD2' ' A' 1044 ' ' PHE . 85.9 Cg_endo -87.69 -10.09 5.39 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.418 2.078 . . . . 0.0 111.538 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.99 29.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.097 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.9 -26.72 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.213 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.542 ' HA ' ' HB1' ' A' 1121 ' ' ALA . 52.6 mtt -54.6 -57.06 12.9 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.004 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.92 -30.5 70.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.889 0.376 . . . . 0.0 110.564 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 40.2 t -62.26 -51.28 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.21 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -64.09 -40.37 96.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.288 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' 1166 ' ' ILE . 65.0 tp -54.53 -42.65 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.346 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.9 t -56.66 -43.12 80.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.321 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.1 t -67.11 -47.17 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.303 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 1053 ' ' ALA . 59.2 t -56.04 -42.67 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.151 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.03 -36.68 75.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.589 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -76.1 -33.5 59.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.82 0.343 . . . . 0.0 110.373 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.6 mt -64.64 -44.31 90.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.288 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.525 ' N ' HD11 ' A' 1159 ' ' LEU . 6.5 pt-20 -66.4 -39.75 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 91.2 mttt -67.71 -34.89 77.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.051 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.461 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.7 -45.99 88.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.971 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.786 HD21 ' HB1' ' A' 1132 ' ' ALA . 19.1 mt -68.61 -32.12 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.037 -175.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.03 -39.32 91.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.287 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.37 -41.86 98.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.567 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.493 HG23 HD13 ' A' 1076 ' ' LEU . 74.9 mt -67.9 -30.45 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.3 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' 1152 ' ' LEU . 49.1 mtmt -61.31 -35.15 76.59 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.933 0.396 . . . . 0.0 110.388 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.93 -39.48 63.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.82 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.228 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -66.15 -35.94 81.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 177.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -65.5 -44.79 85.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.654 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -8.86 58.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 75.84 34.66 47.59 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.733 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 92.7 mttt -100.18 -19.54 16.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.716 ' HG ' ' HB2' ' A' 1140 ' ' ALA . 60.7 tp -80.13 109.14 14.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.026 -172.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -120.42 151.0 53.09 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 169.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.659 ' HB3' ' HA2' ' A' 1137 ' ' GLY . 13.1 Cg_endo -94.16 -67.39 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.328 0 C-N-CA 122.201 1.934 . . . . 0.0 111.89 -176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' 1078 ' ' PRO . 0.8 OUTLIER -173.81 156.39 2.63 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.616 -175.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -92.09 100.11 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 122.639 2.226 . . . . 0.0 111.984 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 153.79 -68.41 0.3 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.581 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . 0.556 ' OE1' ' HG2' ' A' 1086 ' ' LYS . 23.9 mm-40 -79.16 136.66 37.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.825 0.345 . . . . 0.0 110.321 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 -172.51 2.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.441 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . 0.426 ' N ' HD13 ' A' 1141 ' ' LEU . 51.5 ttm -63.5 -32.7 74.22 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -27.4 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.152 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . 0.556 ' HG2' ' OE1' ' A' 1082 ' ' GLU . 2.7 mptm? -68.93 -56.09 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.314 172.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 64.8 m -62.74 -30.86 71.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.841 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . 0.589 HG22 HD13 ' A' 1203 ' ' LEU . 15.3 p -69.16 -33.49 73.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.706 0.288 . . . . 0.0 110.907 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -73.88 -39.48 63.89 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.0 -40.8 81.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.118 0.485 . . . . 0.0 109.977 174.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.523 HD23 HD11 ' A' 1203 ' ' LEU . 14.1 tp -61.97 -54.08 46.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.123 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.56 91.06 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.652 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.958 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.512 ' O ' HG12 ' A' 1098 ' ' VAL . 16.3 m -65.04 -38.71 91.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.052 0.453 . . . . 0.0 109.877 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.872 HG23 ' HB3' ' A' 1196 ' ' LEU . 93.4 m -58.75 -57.02 14.88 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.261 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -61.94 -35.95 79.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.51 -59.01 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.809 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' 1094 ' ' SER . 8.9 p -70.32 -29.97 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.415 -175.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 10.3 t -61.52 -41.64 97.63 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.227 0.536 . . . . 0.0 109.906 176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 39.2 t -70.9 -32.33 69.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.346 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.79 67.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.831 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' 1106 ' ' LEU . 28.1 pt -63.26 -27.14 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.117 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.03 0.443 . . . . 0.0 110.749 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' 1104 ' ' LYS . 23.2 ttmm -74.99 -24.5 58.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -38.8 81.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 175.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' 1189 ' ' ALA . 31.6 mt -66.98 -46.82 73.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.28 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 145.81 165.41 11.37 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.165 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -119.18 160.02 22.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 37.4 pt -92.54 -14.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.572 . . . . 0.0 109.615 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -90.41 -61.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.745 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.56 -75.52 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.484 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 61.8 47.98 86.86 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.258 -0.973 . . . . 0.0 110.916 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -93.54 154.88 17.63 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.046 -0.577 . . . . 0.0 111.007 -172.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -61.19 92.27 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.756 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 17.2 t-20 173.27 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.683 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . 0.403 ' CD1' ' HD3' ' A' 1104 ' ' LYS . 73.4 m-85 -75.06 -25.63 58.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.018 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -50.23 -53.46 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.565 0.541 . . . . 0.0 111.995 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.39 -36.6 78.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.413 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.97 -52.6 58.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.722 0.296 . . . . 0.0 111.166 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.2 61.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.392 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' 1050 ' ' MET . . . -70.31 -28.45 65.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.199 0.523 . . . . 0.0 110.593 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.26 -30.43 57.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.177 0.513 . . . . 0.0 109.702 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.59 -47.35 66.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.2 m -59.09 -39.73 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.682 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -59.15 -45.82 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.58 -42.43 98.83 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.167 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.79 -46.33 89.98 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.311 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.7 mt -67.05 -42.31 85.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -66.27 -30.6 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.55 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 18.2 m -78.11 -39.05 42.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -49.05 76.4 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.45 177.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.35 -48.41 79.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.669 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 49.1 mt-30 -70.7 -35.8 72.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.408 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.75 91.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.766 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.12 93.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.643 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' 1132 ' ' ALA . 47.5 mtp180 -54.8 -50.13 69.28 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.659 ' HA2' ' HB3' ' A' 1078 ' ' PRO . . . -55.94 -50.24 62.48 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.975 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.446 HG11 HD22 ' A' 1203 ' ' LEU . 79.8 t -55.5 -47.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.662 0.267 . . . . 0.0 111.353 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -67.17 -38.82 86.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.038 0.447 . . . . 0.0 111.368 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' 1076 ' ' LEU . . . -71.31 -25.86 62.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.61 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' 1084 ' ' MET . 38.2 mt -84.09 -30.75 25.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.783 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 8.3 t -82.58 155.77 24.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 31.9 p -113.26 4.01 16.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 0.0 110.902 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' 1147 ' ' VAL . 11.4 m-20 -84.53 113.53 49.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -76.2 66.52 7.02 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.471 2.114 . . . . 0.0 112.142 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.45 -56.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.074 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' 1151 ' ' VAL . 18.4 m -64.39 -30.72 50.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.728 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.631 ' O ' ' HG ' ' A' 1152 ' ' LEU . 46.0 mt-30 -53.31 -52.46 59.06 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 121.129 0.49 . . . . 0.0 110.877 176.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.4 66.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -40.96 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.791 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -69.58 -36.36 70.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' 1148 ' ' GLN . 38.6 mt -75.38 -42.91 52.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.416 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.0 -41.47 98.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.104 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.623 HG22 ' HE ' ' A' 1198 ' ' ARG . 23.1 p -68.81 -43.99 74.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.524 177.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.52 92.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.701 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 10.8 t -68.57 -26.61 65.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.199 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.58 -32.18 60.26 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1154 ' ' THR . 96.8 t -55.93 -57.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.251 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' 1159 ' ' LEU . 2.1 pt? -77.73 -28.67 50.87 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.109 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -50.07 -44.74 51.97 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.2 0.524 . . . . 0.0 110.627 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.4 mptt -76.46 -28.64 56.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.588 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' 1166 ' ' ILE . . . -69.71 -32.17 70.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.368 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1167 ' ' GLU . 43.1 m -59.34 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.151 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' 1167 ' ' GLU . 3.7 p -72.55 -22.52 61.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.877 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.836 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -63.58 -50.86 67.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 171.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1162 ' ' ALA . 65.5 mt -68.07 -40.53 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.662 178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.448 ' HG2' HD21 ' A' 1054 ' ' LEU . 32.1 mt-10 -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 110.932 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.25 -47.85 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . 0.489 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -64.09 -31.59 72.83 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.937 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -59.88 -42.07 92.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.074 175.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -79.69 -30.05 40.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.573 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.586 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -62.54 -25.94 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 49.2 m -66.06 -19.81 65.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.449 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -88.26 7.49 81.38 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.741 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.586 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 83.3 m-70 -108.81 134.77 20.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 5.9 Cg_exo -78.96 23.22 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.03 2.487 . . . . 0.0 112.663 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 110.21 79.29 1.05 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 8.6 t0 -111.54 131.1 22.49 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.574 0.226 . . . . 0.0 110.739 -172.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.415 ' HA ' ' OE1' ' A' 1182 ' ' GLN . 27.8 Cg_endo -63.74 -31.24 69.15 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.486 2.124 . . . . 0.0 112.613 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.43 -34.8 61.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 13.2 p -69.12 -30.5 68.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1179 ' ' PRO . 97.2 mt-30 -62.88 -32.65 73.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.079 173.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.5 ' O ' ' HG3' ' A' 1187 ' ' GLN . 59.3 mt-30 -76.27 -44.52 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.511 ' HD2' ' OE1' ' A' 1187 ' ' GLN . 17.5 mmm180 -59.39 -48.31 82.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.786 179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.543 ' HB3' HD22 ' A' 1106 ' ' LEU . 3.5 mm? -55.22 -45.14 75.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' 1190 ' ' LYS . . . -63.96 -40.8 97.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.294 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.511 ' OE1' ' HD2' ' A' 1184 ' ' ARG . 98.1 mt-30 -60.52 -49.83 76.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.432 . . . . 0.0 111.096 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.836 HG13 ' HG ' ' A' 1165 ' ' LEU . 14.4 p -76.55 -31.09 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.418 -175.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' 1106 ' ' LEU . . . -61.32 -44.03 97.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' 1186 ' ' ALA . 14.5 mmmm -66.87 -29.34 69.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.16 99.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.105 0.479 . . . . 0.0 110.07 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.566 HG21 HD12 ' A' 1165 ' ' LEU . 39.6 t -67.53 -38.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.048 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 22.5 m -60.33 -42.91 96.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.362 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' 1158 ' ' VAL . . . -60.17 -43.47 95.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.949 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.872 ' HB3' HG23 ' A' 1095 ' ' THR . 86.2 mt -56.42 -52.57 64.17 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.938 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.95 -38.71 89.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.81 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . 0.623 ' HE ' HG22 ' A' 1154 ' ' THR . 22.7 ttt180 -60.43 -37.12 79.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.988 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 21.0 t -74.24 -47.92 32.11 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.23 0.538 . . . . 0.0 110.101 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 17.8 m -69.3 -23.6 26.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.22 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.2 t -78.26 -34.97 48.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.682 0.277 . . . . 0.0 111.076 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.9 p -81.44 -1.54 46.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 111.443 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.589 HD13 HG22 ' A' 1088 ' ' THR . 94.8 mt -58.72 138.85 86.46 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 177.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 32.0 Cg_exo -57.9 118.19 5.03 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.854 2.369 . . . . 0.0 112.165 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -77.88 79.18 1.46 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.717 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.415 HE22 ' HB3' ' A' 1084 ' ' MET . 7.7 pt20 -64.86 115.83 5.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.415 0.626 . . . . 0.0 110.977 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' 1207 ' ' ARG . 4.8 ptm180 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.853 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' 1044 ' ' PHE . 8.1 tp -87.67 125.89 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.045 0.45 . . . . 0.0 110.354 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.505 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 26.9 t70 -79.59 -54.43 0.94 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.991 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 87.7 Cg_endo -78.93 58.76 7.06 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.984 1.789 . . . . 0.0 112.109 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . 0.655 ' HB3' HG23 ' A' 1041 ' ' ILE . 34.7 p90 -82.24 13.31 3.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.154 0.502 . . . . 0.0 111.343 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 46.3 p -85.86 0.5 52.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.763 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 101.47 84.25 1.79 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.436 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -73.52 91.32 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.691 2.261 . . . . 0.0 111.796 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 81.9 mt -90.84 -166.83 1.67 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.48 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 41.8 mt-10 -71.27 -20.08 62.26 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.395 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 52.0 mtt -71.6 -38.92 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.104 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.59 -38.66 85.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.029 0.443 . . . . 0.0 110.526 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 1056 ' ' VAL . 9.3 m -64.24 -31.64 72.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.806 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.23 41.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.209 0.528 . . . . 0.0 110.419 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -42.96 99.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 14.8 p -61.63 -35.39 77.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1052 ' ' SER . 58.5 t -61.86 -51.66 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.419 175.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' 1159 ' ' LEU . 63.5 t -57.73 -41.4 79.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.974 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.643 ' O ' ' HG3' ' A' 1062 ' ' LYS . 74.3 mt-30 -57.51 -44.27 84.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -73.49 -28.06 61.72 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.164 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.4 mt -67.85 -47.96 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' 1159 ' ' LEU . 11.6 pt-20 -63.96 -40.56 96.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.21 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.643 ' HG3' ' O ' ' A' 1058 ' ' GLN . 28.2 mtpp -62.11 -36.23 81.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.406 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.453 ' O ' HG13 ' A' 1067 ' ' ILE . 21.8 t0 -64.66 -50.54 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.048 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.635 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.9 mt -65.98 -29.54 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.231 -175.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.1 mt-30 -64.07 -38.43 91.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.96 0.409 . . . . 0.0 110.416 176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -71.45 -33.0 68.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.397 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1063 ' ' ASP . 68.8 mt -73.58 -32.02 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.795 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1064 ' ' LEU . 98.3 mttt -60.83 -40.0 91.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.234 0.54 . . . . 0.0 109.761 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.54 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.232 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.15 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.191 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.15 80.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.007 0.432 . . . . 0.0 110.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -66.23 -38.19 87.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.817 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -63.97 -52.82 57.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.398 0.618 . . . . 0.0 109.95 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 120.17 11.58 6.78 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.949 -172.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -82.57 -68.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.629 0.252 . . . . 0.0 110.822 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' 1140 ' ' ALA . 11.1 mt 53.92 -168.5 0.06 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -125.78 83.33 62.67 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.507 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.69 -64.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.292 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 9.7 mp 58.64 85.78 0.18 Allowed Pre-proline 0 C--O 1.234 0.239 0 O-C-N 123.699 0.624 . . . . 0.0 111.172 -177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.83 124.9 14.6 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.021 2.48 . . . . 0.0 111.793 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 123.68 -30.36 4.91 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.65 117.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.008 0.433 . . . . 0.0 109.929 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.4 p -96.2 156.39 16.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 47.3 ttm -66.02 -38.19 87.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.074 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.33 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' 1086 ' ' LYS . 1.2 tmtp? -70.03 -46.63 64.63 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' 1091 ' ' LEU . 65.0 m -65.38 -44.33 87.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.385 -177.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 28.9 p -64.77 -37.74 88.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.47 -47.26 67.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.331 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.78 -44.42 96.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.776 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.3 OUTLIER -53.91 -54.17 42.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.871 177.55 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.06 -46.11 95.22 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.087 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 94.9 m-20 -64.88 -35.71 82.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.74 0.27 . . . . 0.0 111.384 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.583 ' O ' HG12 ' A' 1098 ' ' VAL . 50.3 m -75.3 -35.28 61.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.774 0.321 . . . . 0.0 110.173 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.69 HG23 HD13 ' A' 1196 ' ' LEU . 22.9 m -56.31 -56.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.459 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 57.5 pttt -63.6 -35.63 81.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.006 0.432 . . . . 0.0 110.649 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.44 -59.74 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.33 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' 1094 ' ' SER . 6.0 p -68.14 -27.67 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.584 0.23 . . . . 0.0 110.986 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.8 t -65.49 -42.25 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 64.4 m -75.54 -25.83 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.087 0.47 . . . . 0.0 110.564 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.04 -43.39 67.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.21 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.476 ' HA ' HD12 ' A' 1105 ' ' LEU . 16.4 pt -65.87 -23.84 33.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 178.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.47 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.047 0.451 . . . . 0.0 110.05 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -75.04 -29.75 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.514 HD13 HD22 ' A' 1165 ' ' LEU . 84.0 mt -64.38 -42.37 96.19 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.905 173.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.76 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.826 173.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 95.87 148.6 24.45 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.574 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -83.63 155.31 23.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 47.0 mt -71.11 78.98 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.452 0.644 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 175.45 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.323 -1.308 . . . . 0.0 108.497 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -175.57 143.15 0.61 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.931 -1.032 . . . . 0.0 109.06 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -141.82 -37.41 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.235 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 65.0 t30 -84.37 149.6 25.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.916 0.358 . . . . 0.0 110.188 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 68.75 144.57 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.912 0.757 . . . . 0.0 111.409 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 65.6 t30 68.95 -63.33 0.37 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -61.16 -30.62 70.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.639 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.74 -51.81 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.231 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -77.6 -43.51 15.03 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.005 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.87 -50.34 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -69.38 -38.34 77.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.06 -37.81 88.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.423 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -64.8 -42.15 95.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.317 0.58 . . . . 0.0 110.316 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.41 -39.87 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.181 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.724 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.3 m -64.37 -44.25 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.457 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -60.46 -45.89 92.08 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.84 0.353 . . . . 0.0 110.562 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.95 99.77 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.155 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' 1131 ' ' LEU . . . -63.12 -39.89 98.53 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.191 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' A' 1124 ' ' VAL . 71.7 mt -70.33 -29.37 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 -176.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1125 ' ' ALA . 25.5 mtm180 -62.2 -55.4 28.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.399 0.619 . . . . 0.0 110.04 177.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 16.5 m -65.38 -34.52 78.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.623 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' 1127 ' ' GLY . 0.5 OUTLIER -55.86 -48.97 74.57 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.587 175.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.635 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.33 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.068 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.16 -55.03 23.55 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.579 0.549 . . . . 0.0 112.113 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.79 79.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.996 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.14 83.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.287 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.2 mmp_? -67.64 -44.17 78.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.027 0.441 . . . . 0.0 109.879 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.531 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -59.82 -47.29 91.71 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.133 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.553 HG21 HD22 ' A' 1203 ' ' LEU . 55.0 t -51.95 -51.69 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.658 0.266 . . . . 0.0 111.276 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.426 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.34 -32.79 74.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.688 -177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -76.68 -26.48 54.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.419 -178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' 1137 ' ' GLY . 93.9 mt -83.94 -39.46 19.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.435 -177.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.616 HG23 ' HG2' ' A' 1148 ' ' GLN . 7.3 t -79.74 150.76 30.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.97 0.414 . . . . 0.0 110.537 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 20.1 m -109.57 8.34 25.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.716 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' 1148 ' ' GLN . 32.2 t70 -80.53 112.34 30.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.6 Cg_exo -74.95 67.45 5.89 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.894 2.396 . . . . 0.0 111.884 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.04 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.342 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' 1151 ' ' VAL . 33.9 m -69.23 -27.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.131 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.657 ' O ' ' HG ' ' A' 1152 ' ' LEU . 53.1 mt-30 -59.77 -52.95 63.27 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 120.754 0.311 . . . . 0.0 111.275 -178.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.86 69.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.183 0.515 . . . . 0.0 110.765 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' 1150 ' ' ILE . 1.4 mm -69.78 -43.86 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.771 -175.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' 1147 ' ' VAL . 3.0 p -66.11 -32.17 56.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.336 0.588 . . . . 0.0 110.868 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' 1148 ' ' GLN . 32.8 mt -74.79 -43.66 53.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -63.18 -46.26 87.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.483 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.613 ' O ' HG23 ' A' 1158 ' ' VAL . 8.7 p -58.76 -50.02 75.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.415 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . 0.485 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -57.91 -34.08 69.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.053 0.454 . . . . 0.0 111.119 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 7.7 t -69.14 -39.96 78.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.19 -32.92 74.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' 1154 ' ' THR . 29.6 t -57.97 -56.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.218 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1160 ' ' ASP . 4.4 pp -70.49 -29.47 66.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.918 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.519 ' N ' HD12 ' A' 1159 ' ' LEU . 20.3 t70 -55.14 -49.47 71.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.057 0.456 . . . . 0.0 110.524 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.0 mptt -74.24 -30.95 62.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.53 -35.63 81.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 30.0 t -59.11 -51.86 68.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.064 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' 1168 ' ' GLU . 9.8 m -63.21 -34.49 77.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.345 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.621 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -62.86 -50.64 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.45 -43.18 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' 1170 ' ' LYS . 7.1 mt-10 -69.42 -36.61 76.87 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.852 178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' 1185 ' ' LEU . 7.7 tp10 -61.8 -46.97 87.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 173.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' 1172 ' ' ALA . . . -68.05 -30.75 70.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' 1167 ' ' GLU . 34.8 ttpt -58.52 -39.74 80.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.138 174.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -81.1 -24.01 38.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.502 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.76 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -77.0 -32.48 57.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.616 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.1 m -59.08 106.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 0.0 110.592 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 123.78 -8.48 8.72 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.16 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.76 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 92.3 m-70 -92.11 113.45 59.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -92.99 31.03 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.25 2.633 . . . . 0.0 112.626 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 132.8 55.91 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.873 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.73 128.01 33.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.91 -52.13 8.71 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.252 2.634 . . . . 0.0 112.875 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' A' 1184 ' ' ARG . 34.8 mm-40 -64.84 -45.34 86.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.4 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . 0.46 ' O ' HD23 ' A' 1185 ' ' LEU . 23.3 t -54.42 -49.55 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -176.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -59.89 -36.67 77.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -77.81 -41.65 36.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 -177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' 1180 ' ' GLU . 32.1 mmt180 -61.13 -49.54 76.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.415 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' 1172 ' ' ALA . 4.4 mm? -62.68 -46.77 86.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.31 85.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 111.558 -177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -66.64 -52.31 46.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.48 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.621 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.0 p -69.43 -32.57 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -64.55 -51.19 64.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -72.53 -22.59 61.0 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.409 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.91 95.04 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.758 173.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.495 HG21 HD12 ' A' 1165 ' ' LEU . 87.9 t -58.74 -44.55 90.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.699 173.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . 0.616 ' HA ' ' HG ' ' A' 1196 ' ' LEU . 2.4 m -62.07 -43.73 98.21 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.511 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -63.44 -27.53 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.52 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -76.39 -49.04 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.69 HD13 HG23 ' A' 1095 ' ' THR . 4.3 pp -65.36 -41.9 93.35 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.548 0.689 . . . . 0.0 110.912 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.62 ' N ' HD12 ' A' 1196 ' ' LEU . 0.1 OUTLIER -64.24 -33.2 75.27 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.431 178.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -75.59 -29.5 59.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.159 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . 0.454 ' O ' ' HG ' ' A' 1203 ' ' LEU . 10.1 t -65.86 -43.73 87.55 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.19 0.519 . . . . 0.0 109.641 -173.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.659 HG12 HD12 ' A' 1091 ' ' LEU . 31.3 m -67.28 -31.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.343 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 53.7 m -77.38 -21.65 52.89 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.737 0.304 . . . . 0.0 111.578 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 77.3 m -83.2 -18.64 38.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.859 0.361 . . . . 0.0 110.757 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' 1091 ' ' LEU . 84.8 mt -66.05 140.27 96.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.122 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -57.11 103.04 0.12 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.571 2.181 . . . . 0.0 111.422 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -85.97 -4.06 84.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.624 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -100.38 22.09 12.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 111.266 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.557 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 69.2 mt 73.89 -53.98 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 123.512 0.725 . . . . 0.0 111.172 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 34.8 t70 61.1 95.92 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.813 0.445 . . . . 0.0 110.577 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.437 ' HA ' ' OG ' ' A' 1052 ' ' SER . 73.2 Cg_exo -48.62 114.31 1.16 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.068 2.512 . . . . 0.0 112.128 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 69.1 t80 -157.94 100.91 1.75 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.414 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . 0.63 HG23 ' HB2' ' A' 1052 ' ' SER . 46.5 p -123.12 -33.85 3.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.47 0.652 . . . . 0.0 110.088 174.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 152.3 -99.87 0.2 Allowed Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.25 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -93.38 -1.72 3.36 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.07 2.513 . . . . 0.0 113.202 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 96.2 mt -118.14 109.31 16.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.856 0.36 . . . . 0.0 111.859 -173.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.429 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 49.1 mm-40 -76.5 -39.38 53.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 172.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.2 mtt -54.93 -55.16 33.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.872 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -38.51 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.789 -173.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . 0.63 ' HB2' HG23 ' A' 1045 ' ' THR . 6.8 t -77.49 -39.72 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.671 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' 1057 ' ' VAL . . . -63.53 -36.86 85.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 65.9 tp -54.51 -44.92 73.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.601 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 48.0 m -58.03 -39.91 79.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.707 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.2 t -64.07 -46.91 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.463 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1053 ' ' ALA . 30.0 t -64.6 -38.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.13 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.67 -28.8 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 0.0 111.406 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -75.97 -26.32 56.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.807 0.337 . . . . 0.0 110.574 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' 1064 ' ' LEU . 85.4 mt -70.85 -47.78 57.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.82 ' HB3' HD11 ' A' 1159 ' ' LEU . 5.2 pt-20 -59.43 -39.92 85.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.328 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.3 mttp -74.29 -26.1 59.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.88 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.81 -47.33 66.38 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.705 HD21 ' HB1' ' A' 1132 ' ' ALA . 30.7 mt -60.04 -32.03 70.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' 1061 ' ' GLU . 79.0 mt-30 -61.5 -38.42 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.729 0.299 . . . . 0.0 110.765 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.7 -48.25 64.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.144 0.497 . . . . 0.0 110.357 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.671 HG12 ' HD2' ' A' 1136 ' ' ARG . 2.0 mp -64.26 -33.9 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.476 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -64.69 -39.72 94.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 110.311 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.38 86.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.76 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.716 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' 1072 ' ' ARG . 9.9 tpt180 -59.35 -55.35 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.645 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.68 -30.63 65.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 101.0 39.81 3.01 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -120.86 19.04 11.8 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 1076 ' ' LEU . 36.4 mt -61.92 155.64 22.98 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.381 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -107.21 104.32 51.77 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.792 -173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.94 -7.08 12.31 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.047 1.831 . . . . 0.0 110.667 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.578 ' N ' ' HD2' ' A' 1080 ' ' PRO . 8.3 mp -51.67 -46.63 91.28 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 114.765 -1.107 . . . . 0.0 113.149 -177.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' 1079 ' ' LEU . 5.2 Cg_endo -48.63 -25.72 8.3 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.921 2.414 . . . . 0.0 113.305 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 69.36 50.84 30.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.23 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -84.56 169.38 14.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.7 p -122.28 130.13 52.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.698 0.285 . . . . 0.0 110.286 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.29 -34.78 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.21 -31.13 71.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' 1086 ' ' LYS . 17.3 mmmt -79.18 -46.16 18.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.674 176.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 78.6 m -60.64 -41.11 94.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.712 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . 0.414 HG22 HD13 ' A' 1203 ' ' LEU . 31.9 p -70.57 -41.44 72.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.76 -31.81 73.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 177.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.665 HD23 HD11 ' A' 1203 ' ' LEU . 16.1 tp -62.62 -51.58 66.74 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -60.97 -39.72 97.42 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.458 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . 0.535 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 95.6 m-20 -66.07 -40.64 91.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.668 0.27 . . . . 0.0 110.978 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 21.2 m -67.4 -31.0 70.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.021 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.2 m -59.23 -50.65 73.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.702 175.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 49.0 mtmt -59.95 -39.6 86.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.74 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.83 42.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.754 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.477 HG21 HD21 ' A' 1128 ' ' LEU . 7.7 p -75.48 -23.2 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.672 0.272 . . . . 0.0 111.13 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 27.2 t -66.79 -39.05 87.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.765 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 9.2 p -75.04 -28.32 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.223 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.97 64.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.347 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.7 pt -64.05 -22.85 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.689 0.28 . . . . 0.0 110.95 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.68 65.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.914 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 71.7 mmtt -77.04 -24.74 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.601 HD13 HD22 ' A' 1165 ' ' LEU . 70.0 mt -64.66 -24.31 67.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.1 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' 1106 ' ' LEU . 3.6 mm? -55.22 131.13 44.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.784 0.325 . . . . 0.0 110.312 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -75.23 67.93 2.1 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.63 -172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.35 118.18 24.51 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.802 0.334 . . . . 0.0 110.151 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' 1114 ' ' GLU . 47.4 mm -96.88 129.7 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.808 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -118.12 125.26 49.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 14.7 mm100 61.04 23.04 13.25 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.545 0.528 . . . . 0.0 111.69 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 80.5 10.52 85.19 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.404 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.25 103.86 12.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.247 0.546 . . . . 0.0 110.398 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.581 ' HA ' HD12 ' A' 1109 ' ' ILE . 31.2 tt0 -98.84 -6.62 28.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.251 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -61.54 -20.71 63.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.044 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -51.38 -40.92 60.23 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.129 0.268 . . . . 0.0 111.707 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.82 75.79 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.997 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -71.11 -43.9 55.43 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.33 -43.24 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.701 0.286 . . . . 0.0 111.176 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.914 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -64.82 -50.03 68.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.221 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.581 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.07 -31.01 72.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' A' 1049 ' ' GLU . 8.2 tpt180 -70.47 -40.43 73.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.248 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.55 -36.2 44.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.72 -174.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.658 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.5 m -59.14 -41.4 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.456 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -59.13 -41.16 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.637 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -68.76 -41.8 81.8 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.042 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.46 90.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.36 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.6 mt -66.92 -40.97 87.79 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -69.55 -26.89 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.584 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 13.3 m -79.3 -37.66 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.401 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -60.35 -53.23 60.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.825 178.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.9 -48.82 77.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.055 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -65.6 -37.92 88.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.567 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.1 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.581 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.73 97.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.085 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.671 ' HD2' HG12 ' A' 1067 ' ' ILE . 51.2 mtm180 -60.88 -37.67 82.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.602 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -62.23 -49.69 72.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.694 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 74.3 t -53.39 -46.15 57.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.077 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.12 -43.6 98.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.584 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.76 64.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.6 -176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' 1137 ' ' GLY . 53.3 mt -88.13 -29.51 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.065 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.509 HG21 HG23 ' A' 1147 ' ' VAL . 4.6 t -74.07 153.33 39.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 9.5 m -82.4 -46.48 13.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.172 -175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.68 117.09 38.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.963 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.57 65.59 8.9 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.443 2.096 . . . . 0.0 111.752 176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -162.35 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.79 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.509 HG23 HG21 ' A' 1142 ' ' THR . 27.2 m -63.54 -22.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.021 171.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' 1152 ' ' LEU . 78.7 mt-30 -55.65 -47.05 77.31 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.459 173.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.18 66.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.799 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.526 HG23 ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -67.93 -39.47 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.716 -176.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' 1147 ' ' VAL . 2.8 p -68.97 -35.87 71.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.099 0.476 . . . . 0.0 110.571 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' 1148 ' ' GLN . 39.7 mt -75.42 -42.19 54.15 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.44 -49.29 72.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.101 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.572 ' O ' HG23 ' A' 1158 ' ' VAL . 11.1 p -65.76 -40.58 92.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.42 81.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.07 0.462 . . . . 0.0 110.529 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 30.6 m -67.61 -42.48 82.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.237 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.35 -39.27 89.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.588 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 1154 ' ' THR . 91.9 t -56.23 -59.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.918 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' 1061 ' ' GLU . 4.6 pp -67.88 -30.44 69.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -60.21 -48.94 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 110.973 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.6 mptt -71.52 -30.95 66.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1166 ' ' ILE . . . -66.59 -34.7 78.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.227 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' 1167 ' ' GLU . 50.1 m -63.24 -52.09 63.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.321 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.643 ' O ' ' HG2' ' A' 1168 ' ' GLU . 8.3 m -61.07 -38.29 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.262 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.844 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -54.56 -52.27 62.61 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 175.134 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' 1050 ' ' MET . 83.8 mt -60.99 -46.06 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.038 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1163 ' ' SER . 40.7 mt-10 -56.73 -59.07 5.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.36 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.69 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 13.6 pt-20 -72.87 -23.88 60.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.48 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.65 93.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.384 . . . . 0.0 110.276 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -63.15 -37.41 87.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.108 0.48 . . . . 0.0 109.996 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1168 ' ' GLU . 57.3 mtmt -69.22 -38.9 78.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.173 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -70.9 -17.93 62.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.1 m -68.12 -27.02 66.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 0.0 109.741 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -84.64 -41.4 7.78 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.44 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 16.2 p80 -123.69 80.04 55.61 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.838 0.351 . . . . 0.0 111.519 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.81 -29.99 14.82 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.655 2.237 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -88.94 58.03 4.02 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.878 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -132.08 120.61 17.33 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.27 -39.98 85.81 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.227 2.618 . . . . 0.0 112.885 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -73.51 -38.57 65.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 0.0 110.815 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' 1185 ' ' LEU . 32.2 m -62.8 -49.73 73.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -64.3 -35.71 81.73 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.508 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' 1183 ' ' GLN . 0.0 OUTLIER -58.8 -50.3 74.47 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.238 0.542 . . . . 0.0 110.633 174.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.475 ' HB3' ' OE1' ' A' 1168 ' ' GLU . 13.7 mtp180 -68.16 -43.22 78.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.919 -177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' 1181 ' ' SER . 85.6 mt -53.05 -42.23 65.58 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.05 0.453 . . . . 0.0 111.124 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.68 84.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.97 -38.63 44.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.65 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.844 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.9 p -71.82 -32.01 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 -178.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -63.99 -39.28 93.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.425 0.631 . . . . 0.0 109.892 174.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.485 ' O ' ' HB ' ' A' 1193 ' ' THR . 43.9 mmtm -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.969 178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.75 90.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.338 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 21.7 t -65.88 -38.24 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.301 0.572 . . . . 0.0 109.73 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' 1190 ' ' LYS . 71.9 m -53.0 -49.1 66.89 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.465 177.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -76.03 -36.57 59.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.374 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.1 88.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.845 ' HB3' HG23 ' A' 1095 ' ' THR . 66.7 mt -57.82 -52.48 65.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.245 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -62.48 -38.21 88.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.692 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' 1198 ' ' ARG . 37.1 ttm180 -66.84 -31.02 71.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.854 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -50.07 31.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -67.16 -22.08 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.737 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 33.1 t -75.64 -27.81 58.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.1 0.476 . . . . 0.0 110.55 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . 0.526 ' HB3' HG23 ' A' 1150 ' ' ILE . 79.7 m -84.91 -1.66 56.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.665 HD11 HD23 ' A' 1091 ' ' LEU . 91.2 mt -67.77 130.1 93.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -58.11 109.19 0.46 Allowed 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.684 2.256 . . . . 0.0 112.144 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -84.69 -27.0 36.45 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -89.79 114.61 26.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' 1207 ' ' ARG . 19.5 ptt85 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.261 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.165 -0.374 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 12.8 tt -128.67 -31.95 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.726 0.298 . . . . 0.0 111.022 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.875 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 30.5 t70 -70.34 -55.77 7.46 Favored Pre-proline 0 C--N 1.33 -0.257 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.262 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 36.3 Cg_endo -95.51 106.68 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 122.452 2.101 . . . . 0.0 110.895 170.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 39.5 t80 -86.23 73.87 10.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 122.099 0.952 . . . . 0.0 109.595 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 1.6 t -152.22 88.02 1.36 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.079 -1.419 . . . . 0.0 109.146 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -126.97 94.82 0.42 Allowed Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.518 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.68 155.22 43.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.901 2.401 . . . . 0.0 112.085 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.79 96.5 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -52.63 -47.05 67.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.531 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.3 mtt -72.03 -40.93 68.09 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.613 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -44.7 92.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.711 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1056 ' ' VAL . 49.2 m -71.67 -33.41 68.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.173 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.32 87.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.078 0.466 . . . . 0.0 110.199 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' 1057 ' ' VAL . 55.8 tp -64.61 -41.14 96.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.283 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 74.4 m -59.24 -42.37 90.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.429 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1052 ' ' SER . 97.5 t -60.66 -54.22 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.834 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' 1054 ' ' LEU . 9.9 p -64.78 -34.67 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.389 -175.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' 1062 ' ' LYS . 84.3 mt-30 -70.58 -28.14 64.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 111.55 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . 0.774 ' HA ' ' HE3' ' A' 1062 ' ' LYS . 22.5 m-80 -76.41 -36.61 57.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 173.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1056 ' ' VAL . 94.7 mt -62.05 -45.77 92.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.217 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.818 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -62.85 -31.59 72.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.217 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.774 ' HE3' ' HA ' ' A' 1059 ' ' ASN . 9.0 mtmp? -62.1 -52.65 63.03 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' 1067 ' ' ILE . 1.5 m-20 -58.36 -46.75 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.538 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.746 HD21 ' HB1' ' A' 1132 ' ' ALA . 5.0 mt -61.99 -39.43 92.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.335 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -63.24 -40.85 98.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.652 0.263 . . . . 0.0 110.71 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1062 ' ' LYS . 43.1 mt-10 -62.87 -41.52 99.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.417 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.806 HG21 ' HG3' ' A' 1136 ' ' ARG . 77.8 mt -67.67 -36.94 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.891 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.98 -46.32 91.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.23 83.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.433 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.1 -50.03 73.55 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.808 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -60.64 -45.25 94.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -60.76 -44.8 96.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.926 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 35.4 t70 -75.31 -22.58 57.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.149 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 95.07 30.33 8.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.069 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -115.73 15.66 16.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.91 0.386 . . . . 0.0 110.456 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.509 ' O ' ' HD3' ' A' 1078 ' ' PRO . 42.4 tp -71.12 146.45 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -74.9 107.32 3.7 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 123.084 0.24 . . . . 0.0 110.355 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' 1076 ' ' LEU . 79.0 Cg_endo -87.75 12.02 3.0 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.743 2.296 . . . . 0.0 112.907 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.501 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 7.7 mp -71.05 114.72 29.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.291 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 1.1 Cg_endo -82.95 115.48 2.38 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.957 2.438 . . . . 0.0 112.147 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -101.06 -88.21 2.01 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 172.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -79.07 155.19 28.9 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 16.6 p -74.25 168.59 19.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.574 0.226 . . . . 0.0 110.675 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.17 -30.61 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -58.97 -36.43 74.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.607 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -69.05 -45.33 70.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.188 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 69.7 m -66.51 -38.43 87.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.763 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . 0.492 HG22 HD13 ' A' 1203 ' ' LEU . 30.7 p -67.65 -39.94 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.187 0.517 . . . . 0.0 110.45 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -66.52 -48.89 68.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.96 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.49 -36.62 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.536 HD22 HD21 ' A' 1203 ' ' LEU . 17.7 tp -60.86 -54.0 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.307 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -58.02 -42.56 95.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.177 -0.535 . . . . 0.0 112.669 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . 0.461 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 30.4 m-80 -65.58 -45.13 84.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.593 0.235 . . . . 0.0 111.015 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.0 m -65.06 -30.69 71.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.754 0.311 . . . . 0.0 110.642 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.852 HG23 ' HB3' ' A' 1196 ' ' LEU . 77.0 m -60.1 -55.91 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.809 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 64.6 pttt -67.83 -32.9 73.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -54.37 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.536 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.587 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.7 p -73.48 -23.05 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.7 t -67.05 -34.5 77.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.303 0.573 . . . . 0.0 109.84 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 42.9 m -74.16 -25.22 59.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.225 0.536 . . . . 0.0 110.0 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.488 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -72.44 -49.31 34.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.817 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 35.9 pt -64.43 -23.82 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 120.752 0.311 . . . . 0.0 110.581 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.18 95.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 53.3 mttp -75.66 -38.2 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.16 -28.34 68.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.541 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' 1185 ' ' LEU . 36.0 tp -66.59 103.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.845 -177.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 116.79 -46.0 1.21 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.563 -0.827 . . . . 0.0 114.245 168.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 55.84 76.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -167.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.404 ' H ' HD13 ' A' 1109 ' ' ILE . 0.2 OUTLIER -126.94 -178.8 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -173.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 64.78 174.57 0.2 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.797 0.686 . . . . 0.0 111.777 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -84.86 118.58 24.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 107.42 23.29 7.0 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 3.9 p30 -64.19 -29.92 71.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.784 -0.208 . . . . 0.0 110.806 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.38 -31.31 70.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.294 0.569 . . . . 0.0 110.498 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -76.23 -53.33 8.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.078 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -61.02 -39.53 90.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.551 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.1 -49.92 19.69 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.7 -45.74 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.67 0.271 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.9 -41.82 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.684 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -67.4 -33.04 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.228 0.537 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -71.72 -33.13 68.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.213 0.53 . . . . 0.0 109.976 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 29.6 t70 -78.26 -38.54 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.669 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.676 ' O ' ' HG ' ' A' 1128 ' ' LEU . 27.4 m -59.29 -38.32 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.434 177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -61.07 -38.73 87.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.349 . . . . 0.0 110.77 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -74.47 -42.08 34.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.35 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . 0.473 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -62.35 -40.08 98.58 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.493 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' 1124 ' ' VAL . 82.6 mt -68.31 -29.81 68.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.623 0.249 . . . . 0.0 110.955 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' 1125 ' ' ALA . 63.0 mtt180 -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.2 0.524 . . . . 0.0 110.183 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 21.5 m -56.69 -41.5 77.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.392 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.461 HD22 HD12 ' A' 1091 ' ' LEU . 1.9 tm? -57.7 -49.17 77.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.756 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.746 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -62.72 -42.88 99.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.421 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 1129 ' ' ARG . 96.8 mt-30 -61.89 -44.28 97.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.311 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' 1138 ' ' VAL . . . -63.57 -47.43 81.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.18 90.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.806 ' HG3' HG21 ' A' 1067 ' ' ILE . 4.6 mpt_? -66.51 -36.23 82.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -65.52 -41.27 96.32 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.881 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1134 ' ' ALA . 77.1 t -55.95 -45.91 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.711 0.291 . . . . 0.0 111.351 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.54 90.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.783 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.8 69.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.98 0.419 . . . . 0.0 110.933 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.89 -37.74 84.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.05 -176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.468 HG21 HG23 ' A' 1147 ' ' VAL . 14.0 t -68.82 -38.34 79.8 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.438 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.6 m 61.27 13.24 4.72 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' 1148 ' ' GLN . 23.5 m-20 -94.39 116.78 66.8 Favored Pre-proline 0 C--O 1.233 0.215 0 O-C-N 122.167 -0.333 . . . . 0.0 110.201 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 8.6 Cg_exo -72.13 68.48 3.27 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 123.306 2.671 . . . . 0.0 112.298 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.37 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.141 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' 1151 ' ' VAL . 21.5 m -72.73 -22.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.153 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.708 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.4 mt-30 -55.75 -52.61 63.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.892 0.377 . . . . 0.0 110.204 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.64 -30.8 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -44.84 40.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.766 -175.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -68.64 -31.27 50.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.459 0.647 . . . . 0.0 110.899 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 1148 ' ' GLN . 30.7 mt -78.23 -40.41 37.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.235 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.75 -50.64 67.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.378 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.556 HG22 ' HG2' ' A' 1198 ' ' ARG . 21.4 p -60.28 -48.58 81.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.531 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.31 70.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 111.366 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 10.8 t -80.38 -25.96 38.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.048 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . 0.569 ' OD1' ' HE2' ' A' 1161 ' ' LYS . 37.9 t70 -71.83 -32.74 67.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' 1154 ' ' THR . 83.9 t -56.81 -60.58 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.898 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.818 HD13 ' HB3' ' A' 1061 ' ' GLU . 3.0 pp -66.09 -29.21 69.49 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.679 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.605 ' N ' HD12 ' A' 1159 ' ' LEU . 27.1 t70 -50.8 -53.12 34.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.021 0.439 . . . . 0.0 110.876 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.569 ' HE2' ' OD1' ' A' 1157 ' ' ASP . 3.2 mptp? -77.25 -29.01 53.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.369 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.718 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -63.64 -40.62 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.574 0.226 . . . . 0.0 111.085 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' 1167 ' ' GLU . 39.3 m -58.22 -47.01 84.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 174.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 17.3 m -69.24 -28.83 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.908 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.7 tt -62.67 -46.73 86.81 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1162 ' ' ALA . 70.4 mt -67.76 -41.2 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.81 178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' 1163 ' ' SER . 51.5 mt-10 -61.45 -49.21 77.72 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.522 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.44 ' HG3' HD22 ' A' 1185 ' ' LEU . 25.1 tp10 -58.17 -45.72 87.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.81 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -64.35 -47.05 80.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.147 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.43 -34.63 72.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.201 0.524 . . . . 0.0 110.433 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' 1171 ' ' LYS . 35.3 ttpt -74.49 -37.63 63.1 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.317 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.77 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -60.72 -34.97 75.2 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.987 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 6.1 m -61.13 -22.32 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.868 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -100.49 14.46 59.31 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.512 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.77 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 60.3 m-70 -95.59 147.34 32.85 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -80.08 -1.7 11.56 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.645 2.23 . . . . 0.0 112.443 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 130.64 64.81 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.64 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.01 123.9 51.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.623 0.249 . . . . 0.0 110.678 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' 1183 ' ' GLN . 30.1 Cg_endo -64.98 -28.38 57.85 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.322 2.014 . . . . 0.0 111.103 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.467 ' HA ' ' OE1' ' A' 1183 ' ' GLN . 39.1 mt-10 -66.96 -29.79 69.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.984 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 57.9 m -64.24 -43.83 93.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.384 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.97 -23.61 59.51 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.511 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' 1187 ' ' GLN . 93.4 mt-30 -70.94 -54.17 12.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -55.21 -45.41 75.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.127 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.561 ' HB3' HD12 ' A' 1106 ' ' LEU . 0.8 OUTLIER -54.17 -44.67 71.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.894 177.195 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.52 80.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' 1183 ' ' GLN . 86.3 mt-30 -61.09 -49.64 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.908 HG13 ' HG ' ' A' 1165 ' ' LEU . 12.0 p -72.05 -33.93 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -177.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -62.84 -44.4 96.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.238 0.542 . . . . 0.0 110.018 176.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.48 -37.65 88.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.492 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.95 88.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.753 177.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.51 HG21 HD12 ' A' 1165 ' ' LEU . 95.6 t -61.28 -38.82 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 0.0 110.31 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 28.6 m -59.93 -42.51 94.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.713 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.07 -33.26 67.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.276 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.27 90.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.832 0.348 . . . . 0.0 110.081 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.852 ' HB3' HG23 ' A' 1095 ' ' THR . 80.7 mt -59.45 -44.4 92.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.776 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.58 -37.73 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.819 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . 0.556 ' HG2' HG22 ' A' 1154 ' ' THR . 20.9 ttp180 -70.7 -25.09 62.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' 1154 ' ' THR . 72.6 m -71.49 -49.38 41.78 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 109.892 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 16.9 m -71.84 -23.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.807 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 8.9 t -78.42 -32.42 48.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.351 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -83.76 -2.4 56.21 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.524 0.202 . . . . 0.0 111.534 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.536 HD21 HD22 ' A' 1091 ' ' LEU . 76.2 mt -57.84 124.82 70.98 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.619 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.37 164.62 33.64 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.931 2.421 . . . . 0.0 112.268 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . 175.58 42.62 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.516 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 23.3 tm0? 58.53 82.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.599 0.714 . . . . 0.0 110.195 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.594 179.451 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 5.8 tp -99.44 91.38 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.03 0.919 . . . . 0.0 110.681 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.891 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 36.6 t70 -148.12 -57.77 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.109 176.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.891 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 22.2 Cg_endo -93.86 173.76 1.61 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.703 2.269 . . . . 0.0 110.713 170.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 39.9 p90 -88.64 17.24 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.221 0.534 . . . . 0.0 110.951 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -2.94 56.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.196 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -90.63 -69.75 1.21 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.657 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.7 147.78 92.46 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.706 2.271 . . . . 0.0 112.485 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.21 93.22 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 0.0 111.051 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.23 -21.9 66.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.55 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.3 mtt -56.66 -40.55 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.9 175.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.06 -41.87 77.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -36.5 74.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.582 ' O ' HG22 ' A' 1056 ' ' VAL . . . -66.46 -40.82 89.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 0.0 110.192 174.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.552 HD13 ' HB ' ' A' 1166 ' ' ILE . 51.0 tp -59.78 -33.88 72.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.672 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -61.93 -41.9 98.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.541 -177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' 1053 ' ' ALA . 6.1 m -72.38 -24.7 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1053 ' ' ALA . 63.0 t -71.6 -41.1 71.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.295 176.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.64 -28.58 69.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.414 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -76.36 -34.35 58.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 110.471 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.59 HD11 ' HG2' ' A' 1129 ' ' ARG . 96.2 mt -67.66 -44.77 77.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 10.4 pt-20 -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.407 ' HA ' HE21 ' A' 1065 ' ' GLN . 67.6 mttm -65.99 -39.98 90.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.853 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' 1067 ' ' ILE . 31.2 m-20 -61.72 -46.62 88.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.462 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.71 HD12 HD21 ' A' 1159 ' ' LEU . 56.4 mt -65.78 -34.19 77.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.425 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' 1061 ' ' GLU . 22.7 mt-30 -62.61 -38.33 89.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.422 . . . . 0.0 110.756 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.22 -43.15 67.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' 1063 ' ' ASP . 82.5 mt -65.0 -33.3 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.425 178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.529 ' HE3' ' HB2' ' A' 1153 ' ' ASP . 23.8 tptm -57.72 -48.51 79.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.455 177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.58 94.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -63.7 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -74.48 -27.79 60.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -66.48 -43.02 86.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.904 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.27 -36.16 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 109.9 11.76 19.99 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.939 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -79.68 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' 1139 ' ' ALA . 5.4 mt 57.96 -174.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.208 -0.905 . . . . 0.0 113.114 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -127.6 117.01 21.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.885 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.58 ' O ' ' HD3' ' A' 1080 ' ' PRO . 58.3 Cg_endo -74.34 32.7 0.35 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.785 2.324 . . . . 0.0 114.026 -174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.56 90.28 4.84 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.686 ' HA ' ' HA2' ' A' 1137 ' ' GLY . 73.5 Cg_endo -97.59 -172.21 0.16 Allowed 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 123.472 2.781 . . . . 0.0 113.429 -174.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -109.32 69.66 0.21 Allowed Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.517 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.61 -150.15 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.614 0.366 . . . . 0.0 110.361 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . 0.556 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 1.2 p -71.22 150.62 45.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.633 0.254 . . . . 0.0 111.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . 0.567 ' HB3' ' HD2' ' A' 1207 ' ' ARG . 47.2 ttm -56.4 -37.85 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.227 -175.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.556 ' OE1' ' HB ' ' A' 1083 ' ' THR . 9.6 pm0 -62.62 -35.13 78.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.661 0.267 . . . . 0.0 110.715 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.13 -40.06 28.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 7.3 t -62.95 -40.03 96.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.644 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 19.5 p -72.42 -28.75 63.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.251 0.548 . . . . 0.0 110.613 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.24 -47.51 61.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.61 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.04 -27.46 67.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.338 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.787 ' HG ' HD11 ' A' 1203 ' ' LEU . 0.9 OUTLIER -57.6 -52.91 63.49 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.033 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -62.99 -40.59 99.49 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.447 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -60.8 -46.66 89.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.656 0.265 . . . . 0.0 110.787 177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 16.9 m -63.26 -37.36 86.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 0.0 110.181 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 1.003 HG23 ' HB3' ' A' 1196 ' ' LEU . 55.4 m -55.61 -53.56 55.02 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.789 175.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' 1092 ' ' GLY . 51.0 mtmt -66.34 -34.55 78.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.964 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.17 -55.26 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.514 HG21 HD21 ' A' 1128 ' ' LEU . 10.9 p -72.16 -24.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 110.617 -178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 42.6 t -63.87 -40.61 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 110.32 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' 1104 ' ' LYS . 25.1 m -73.82 -25.71 60.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.135 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -75.02 -46.56 34.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.546 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.5 pt -64.7 -27.32 42.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.794 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.3 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.83 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' 1100 ' ' SER . 94.2 mttt -70.77 -32.75 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.524 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.38 -25.53 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.473 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.06 105.02 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.86 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 143.37 130.16 2.38 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.031 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.19 -21.51 36.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 40.0 mt 62.01 -96.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.765 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 176.34 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.148 0.499 . . . . 0.0 110.244 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.65 123.96 32.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 55.13 43.49 83.59 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.507 -0.769 . . . . 0.0 114.105 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -66.33 -28.4 68.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.296 0.548 . . . . 0.0 109.813 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.63 -23.12 65.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.155 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -80.4 -49.05 11.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 6.3 t80 -63.15 -44.59 95.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.4 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.526 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -59.35 -35.82 74.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.043 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.76 96.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.956 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.42 -37.87 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.19 70.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.323 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.55 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.86 -30.12 71.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.266 0.555 . . . . 0.0 110.831 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -75.37 -30.11 60.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.34 0.59 . . . . 0.0 109.985 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.09 -41.58 49.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.599 -177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.756 ' O ' ' HG ' ' A' 1128 ' ' LEU . 30.7 m -62.1 -42.95 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.765 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -59.85 -38.84 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.065 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.16 -43.45 98.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.999 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -65.15 -36.25 92.68 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.024 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' 1124 ' ' VAL . 42.5 mt -71.13 -36.75 72.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.813 0.34 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.59 ' HG2' HD11 ' A' 1060 ' ' LEU . 42.2 mtm180 -60.62 -53.34 58.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 0.0 110.491 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -60.56 -36.55 78.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.217 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -53.13 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.291 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . . . . . . . . . . . -58.22 -38.48 76.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.702 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -65.62 -46.23 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.85 66.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.313 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -62.61 -54.93 32.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -68.17 -23.95 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' 1080 ' ' PRO . . . -65.01 -48.28 72.8 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.5 174.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 54.3 t -56.6 -44.24 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.044 0.449 . . . . 0.0 110.567 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' 1076 ' ' LEU . . . -61.33 -43.76 98.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.476 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -68.98 -26.91 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.45 -39.3 38.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.552 HG21 HG23 ' A' 1147 ' ' VAL . 6.7 t -73.47 -43.97 59.02 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.435 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 16.6 t 57.28 29.94 17.62 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.296 0.57 . . . . 0.0 110.49 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' 1148 ' ' GLN . 19.1 t70 -109.48 113.7 57.96 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.41 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 15.0 Cg_exo -69.17 68.24 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 0.0 112.954 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.03 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.717 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.552 HG23 HG21 ' A' 1142 ' ' THR . 21.7 m -80.37 -22.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.589 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.644 ' HB3' ' HB1' ' A' 1071 ' ' ALA . 28.1 mt-30 -53.78 -56.15 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.19 0.519 . . . . 0.0 110.675 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.81 71.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.3 OUTLIER -68.27 -43.39 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 -174.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.81 -34.47 60.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.086 0.47 . . . . 0.0 110.992 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.5 mt -77.4 -41.33 40.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.222 0.534 . . . . 0.0 110.48 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . 0.529 ' HB2' ' HE3' ' A' 1068 ' ' LYS . 15.6 t70 -55.9 -45.73 78.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.04 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.479 ' O ' HG23 ' A' 1158 ' ' VAL . 17.6 p -69.08 -42.93 75.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.992 0.425 . . . . 0.0 111.233 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 28.0 t -68.94 -27.37 65.69 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.369 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.7 -35.2 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1154 ' ' THR . 94.6 t -55.01 -61.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.902 177.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.71 HD21 HD12 ' A' 1064 ' ' LEU . 3.3 pp -67.44 -29.22 68.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.273 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' 1159 ' ' LEU . 28.2 t70 -55.8 -50.55 70.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' 1161 ' ' LYS . 11.6 mptt -72.75 -33.44 66.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.367 178.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -64.44 -30.2 71.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 41.2 m -62.02 -52.05 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.005 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 15.7 m -65.92 -30.95 71.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.518 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.656 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.2 tt -59.11 -52.37 66.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.552 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.5 mt -67.07 -42.45 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.229 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.47 -44.3 94.83 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.82 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.87 -37.32 86.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.138 175.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.07 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.181 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.42 -35.59 77.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.173 0.511 . . . . 0.0 110.11 175.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.18 -40.73 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.868 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.852 ' HA ' ' HD2' ' A' 1175 ' ' HIS . . . -59.82 -34.37 72.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.215 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 51.1 m -66.69 -16.05 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.617 176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.03 2.71 64.02 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.903 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.852 ' HD2' ' HA ' ' A' 1172 ' ' ALA . 97.0 m-70 -101.02 121.35 52.52 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 4.5 Cg_exo -80.52 26.86 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.365 2.71 . . . . 0.0 112.51 -177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 121.12 74.35 0.36 Allowed Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.82 126.2 28.65 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.537 0.208 . . . . 0.0 110.733 -176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.501 ' O ' ' HG3' ' A' 1183 ' ' GLN . 35.0 Cg_endo -65.7 -46.24 5.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.942 2.428 . . . . 0.0 113.095 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' 1184 ' ' ARG . 44.3 mt-10 -71.81 -39.97 69.48 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.127 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 24.8 t -58.57 -46.18 87.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.112 -178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -70.38 -23.28 62.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.209 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' 1179 ' ' PRO . 26.2 mt-30 -77.71 -33.63 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' 1180 ' ' GLU . 26.0 mmm180 -65.44 -44.31 87.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.882 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.18 -46.13 75.81 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.984 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.63 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.215 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.02 -47.28 71.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -70.24 -33.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.054 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -65.86 -48.38 71.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' 1194 ' ' GLN . 93.2 mttt -69.59 -22.12 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.709 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -66.28 -33.41 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 109.776 173.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.446 HG21 HD12 ' A' 1165 ' ' LEU . 46.2 t -69.21 -43.05 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.373 174.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' 1196 ' ' LEU . 12.9 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.978 176.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' 1190 ' ' LYS . 82.7 mm-40 -62.66 -43.47 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.907 178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.41 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.636 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 1.003 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -58.44 -52.53 65.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.186 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 11.3 t30 -67.37 -33.48 75.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.114 0.483 . . . . 0.0 110.408 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -64.9 -30.49 71.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' 1203 ' ' LEU . 18.2 t -73.49 -50.24 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.606 ' HA ' HD12 ' A' 1203 ' ' LEU . 30.1 m -68.43 -21.97 26.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 40.8 t -70.17 -45.27 67.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.461 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 28.7 p -77.2 -17.89 58.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.227 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.787 HD11 ' HG ' ' A' 1091 ' ' LEU . 52.3 mt -60.8 123.33 74.29 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.3 104.26 1.86 Allowed 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -85.5 34.91 3.23 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -144.65 111.77 5.94 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.567 ' HD2' ' HB3' ' A' 1084 ' ' MET . 74.9 mtp180 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.83 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 11.6 tt -84.31 81.52 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 122.183 0.992 . . . . 0.0 110.37 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.775 ' H ' ' HD2' ' A' 1043 ' ' PRO . 28.3 t70 -131.15 -50.3 0.03 OUTLIER Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.414 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.775 ' HD2' ' H ' ' A' 1042 ' ' ASP . 51.9 Cg_endo -72.41 107.73 2.35 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.516 1.478 . . . . 0.0 111.117 170.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -89.47 7.53 35.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.664 0.745 . . . . 0.0 110.407 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 41.0 p -90.99 -12.46 35.8 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.952 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 164.77 85.0 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.626 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.3 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.598 2.199 . . . . 0.0 111.745 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.0 mp 57.66 49.09 12.98 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.231 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.416 ' HA ' ' OG ' ' A' 1052 ' ' SER . 8.2 tp10 -60.81 -30.38 70.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 -176.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 47.3 mtt -66.69 -38.21 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.188 0.518 . . . . 0.0 110.399 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.96 -39.53 72.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' 1049 ' ' GLU . 3.1 p -71.07 -38.56 72.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.728 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.1 91.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.518 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.02 -38.05 87.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 32.6 t -63.34 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.921 0.391 . . . . 0.0 110.003 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' 1060 ' ' LEU . 76.1 t -62.46 -47.23 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 46.8 t -64.5 -37.77 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.843 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 46.5 mt-30 -63.6 -28.12 69.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.161 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -75.59 -39.33 58.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.945 0.402 . . . . 0.0 110.231 174.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.741 HD21 ' HG2' ' A' 1129 ' ' ARG . 95.9 mt -62.75 -48.56 78.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.182 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.45 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.2 pt-20 -59.96 -35.64 75.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.567 ' HB3' ' NZ ' ' A' 1062 ' ' LYS . 9.2 mtpm? -69.89 -45.79 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.091 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' 1067 ' ' ILE . 32.0 t70 -58.25 -48.21 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -176.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.872 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.5 mt -62.08 -35.55 78.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.872 -177.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -64.95 -36.95 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 0.0 110.692 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.35 -31.06 62.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' 1063 ' ' ASP . 37.8 mt -72.43 -24.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.012 174.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' 1064 ' ' LEU . 58.1 mtpt -67.84 -39.94 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.907 0.384 . . . . 0.0 110.116 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.85 92.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.839 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.85 77.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.463 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.73 74.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.102 0.477 . . . . 0.0 111.102 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' 1072 ' ' ARG . 13.2 tpp180 -64.1 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.116 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -30.32 69.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.785 0.326 . . . . 0.0 111.44 -173.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 113.01 14.16 10.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.47 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -104.62 18.55 22.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.901 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' 1140 ' ' ALA . 0.5 OUTLIER -62.01 121.47 13.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 70.3 mmtt -67.72 110.1 4.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.423 -177.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.675 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 4.7 Cg_exo -75.37 -45.69 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.288 2.658 . . . . 0.0 111.339 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 45.6 mt 66.58 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.561 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -0.94 11.14 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.657 2.238 . . . . 0.0 112.014 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.69 77.48 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.557 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -139.83 149.96 44.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.637 0.256 . . . . 0.0 110.54 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 1.6 p -106.48 -179.57 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.361 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' 1141 ' ' LEU . 44.5 ttm -68.93 -41.21 78.41 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -169.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -22.28 66.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 -176.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.7 -54.9 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.849 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 72.1 m -66.61 -41.79 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.935 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.8 p -65.89 -39.81 90.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -72.17 -40.06 68.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.473 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.64 -34.03 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.026 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.559 HD12 HD22 ' A' 1131 ' ' LEU . 20.6 tp -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.82 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -65.11 -43.7 95.22 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.189 177.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -61.05 -43.52 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.868 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.594 ' O ' HG23 ' A' 1098 ' ' VAL . 19.5 m -61.5 -45.3 94.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.208 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 1.079 HG23 ' HB3' ' A' 1196 ' ' LEU . 52.9 m -51.6 -56.06 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -55.62 -42.55 75.08 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.342 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' 1094 ' ' SER . 21.8 t -68.45 -37.41 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.542 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.8 m -59.56 -41.24 89.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -70.53 -39.29 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.629 . . . . 0.0 110.154 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.656 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -66.84 -47.8 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.939 -176.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.9 pt -63.79 -26.11 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.543 0.211 . . . . 0.0 111.316 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.7 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.127 0.489 . . . . 0.0 110.659 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.656 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 47.9 pttt -70.46 -24.04 62.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.948 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.08 -41.94 70.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.838 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 67.2 tp -67.86 -37.09 81.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.372 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 82.15 -71.35 2.98 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.37 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -172.9 -70.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 12.9 tt -153.05 -31.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -78.42 158.24 28.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.983 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.81 118.15 23.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -66.12 152.88 51.99 Favored Glycine 0 CA--C 1.518 0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 113.135 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . 0.404 ' HA ' ' HB2' ' A' 1117 ' ' ALA . 21.6 t-20 -153.42 -39.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.306 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.5 92.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.289 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 19.8 m120 68.16 -62.14 0.37 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.874 0.869 . . . . 0.0 112.854 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' A' 1104 ' ' LYS . 26.0 m-85 -56.53 -27.93 58.71 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' 1113 ' ' ASN . . . -55.97 -46.93 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 176.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.28 -42.62 10.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.715 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.2 -49.84 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 111.342 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.577 ' HB2' ' HG3' ' A' 1104 ' ' LYS . . . -69.54 -39.2 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.632 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.06 86.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.198 0.523 . . . . 0.0 110.565 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' 1122 ' ' ARG . 21.1 ttt180 -75.86 -27.29 57.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.181 0.515 . . . . 0.0 110.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.4 -44.05 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.548 ' O ' ' HG ' ' A' 1128 ' ' LEU . 11.7 m -63.58 -45.28 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.341 174.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.91 -44.12 73.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.683 0.277 . . . . 0.0 111.33 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.13 32.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -63.99 -35.83 92.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.813 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' 1124 ' ' VAL . 94.5 mt -69.05 -25.39 64.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.899 -0.177 . . . . 0.0 111.199 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.741 ' HG2' HD21 ' A' 1060 ' ' LEU . 20.7 mtm180 -64.93 -48.75 73.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.564 175.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 24.3 m -62.85 -42.1 99.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.316 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.559 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -56.2 -51.9 66.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 178.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.872 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.11 -51.62 69.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.726 -178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.45 -41.63 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.588 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.65 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.003 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.66 94.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.232 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1132 ' ' ALA . 12.4 mmm180 -67.83 -37.75 82.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.239 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.448 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.43 -44.02 97.38 Favored Glycine 0 C--O 1.227 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.14 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.402 ' HB ' HG21 ' A' 1151 ' ' VAL . 53.0 t -54.99 -45.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.67 0.271 . . . . 0.0 111.288 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.43 -28.0 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.449 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.675 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -77.21 -44.44 30.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.16 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1084 ' ' MET . 40.6 mt -64.4 -32.55 74.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.653 -176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.0 t -84.91 152.76 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 40.5 m -116.33 12.23 15.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.228 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.479 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 39.3 m-20 -89.97 107.52 19.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.135 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 2.8 Cg_exo -75.15 68.62 5.84 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.212 2.608 . . . . 0.0 112.556 -175.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -166.48 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.355 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . . . . . . . . . 35.1 m -69.62 -22.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.718 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.707 ' O ' ' HG ' ' A' 1152 ' ' LEU . 27.0 mt-30 -58.2 -47.82 82.27 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.707 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.83 65.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.792 0.329 . . . . 0.0 110.606 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' 1202 ' ' CYS . 0.4 OUTLIER -69.66 -40.03 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.589 -174.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.468 ' HA ' ' SG ' ' A' 1202 ' ' CYS . 2.7 p -70.39 -31.28 46.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.326 0.584 . . . . 0.0 110.711 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 1148 ' ' GLN . 25.9 mt -78.06 -40.55 38.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.32 0.581 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.88 -45.76 82.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.391 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' 1198 ' ' ARG . 33.9 p -67.77 -39.78 84.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.154 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.21 94.48 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.468 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.5 t -63.38 -33.45 75.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.103 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . 0.411 ' O ' ' HD2' ' A' 1161 ' ' LYS . 35.8 t70 -72.08 -37.17 69.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.194 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1154 ' ' THR . 67.1 t -59.12 -56.31 17.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.7 pp -62.9 -31.46 72.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.854 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.433 ' N ' HD12 ' A' 1159 ' ' LEU . 12.7 t70 -53.55 -53.48 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.816 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.486 ' HG2' ' HB1' ' A' 1191 ' ' ALA . 7.9 mttp -77.52 -34.28 54.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.409 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.92 76.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.067 0.461 . . . . 0.0 110.601 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' 1167 ' ' GLU . 19.8 m -64.93 -49.84 68.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.089 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.509 ' HB2' HG21 ' A' 1188 ' ' VAL . 14.8 m -58.25 -34.71 70.76 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.435 ' HA ' HG11 ' A' 1188 ' ' VAL . 61.9 tp -60.99 -51.73 68.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.905 0.383 . . . . 0.0 110.704 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.92 -38.94 66.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1163 ' ' SER . 44.3 mt-10 -62.91 -44.41 96.16 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.057 176.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -59.53 -44.63 93.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.327 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.89 76.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.08 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -62.43 -44.45 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.836 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -70.75 -39.83 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.58 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.96 76.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 29.9 m -77.01 -10.14 59.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.714 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -101.99 -5.54 50.14 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.595 176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.489 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 27.7 m170 -100.85 123.28 46.04 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 5.2 Cg_exo -78.22 37.48 0.64 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.587 2.858 . . . . 0.0 112.442 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 111.48 94.51 2.23 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -138.74 134.05 16.98 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.638 0.256 . . . . 0.0 110.681 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.85 -37.97 90.97 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.168 2.579 . . . . 0.0 113.191 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' 1184 ' ' ARG . 12.4 mm-40 -70.67 -44.42 67.06 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.275 -0.17 . . . . 0.0 111.273 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' 1185 ' ' LEU . 46.9 m -50.82 -49.48 58.55 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.257 0.348 . . . . 0.0 111.68 -177.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' 1182 ' ' GLN . 14.0 pt20 -70.83 -34.52 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.985 -177.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -79.76 -38.59 32.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 0.0 111.089 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' 1180 ' ' GLU . 19.4 mmt180 -61.67 -42.69 99.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.464 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' 1181 ' ' SER . 95.9 mt -55.27 -46.41 76.15 Favored 'General case' 0 C--N 1.333 -0.121 0 O-C-N 123.516 0.51 . . . . 0.0 110.762 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.29 80.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.286 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.98 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' 1164 ' ' SER . 8.8 p -70.96 -26.53 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.53 99.68 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.958 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' 1193 ' ' THR . 34.2 mmtp -71.57 -29.19 64.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.332 177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . 0.486 ' HB1' ' HG2' ' A' 1161 ' ' LYS . . . -63.55 -46.23 86.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.647 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.509 ' O ' HD13 ' A' 1196 ' ' LEU . 60.2 t -62.06 -44.21 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 174.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . 0.468 ' HB ' ' O ' ' A' 1190 ' ' LYS . 53.7 m -47.54 -47.13 28.14 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.456 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -78.41 -26.08 46.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.065 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.0 55.03 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 -175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 1.079 ' HB3' HG23 ' A' 1095 ' ' THR . 0.3 OUTLIER -52.34 -52.61 52.3 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.91 172.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.454 HD22 ' C ' ' A' 1197 ' ' ASN . 0.2 OUTLIER -66.42 -34.79 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.9 -179.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' 1154 ' ' THR . 39.4 ttm180 -65.27 -32.15 73.66 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.128 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.2 t -74.35 -47.39 34.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.265 0.555 . . . . 0.0 109.886 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 27.5 m -67.32 -27.15 37.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.06 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 30.3 t -77.7 -23.93 49.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.391 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . 0.546 ' HB2' HG23 ' A' 1150 ' ' ILE . 14.8 p -85.81 -4.78 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.656 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.503 HD11 HD23 ' A' 1091 ' ' LEU . 96.2 mt -62.95 137.99 97.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.846 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.72 111.28 0.68 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.82 2.347 . . . . 0.0 112.214 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -100.27 48.71 1.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -89.17 121.24 31.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.39 0.614 . . . . 0.0 110.806 -177.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.542 ' HA ' ' NE ' ' A' 1207 ' ' ARG . 3.3 mmp_? . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.118 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' 1113 ' ' ASN . 8.7 tp -104.08 -33.38 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.702 0.286 . . . . 0.0 110.577 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.3 102.99 4.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 111.156 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.75 137.7 2.88 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.099 2.532 . . . . 0.0 111.588 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 45.6 p90 -96.06 18.39 13.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 110.538 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 17.5 p -93.34 -2.6 54.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.748 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 86.3 106.46 0.77 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.82 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . 0.552 ' HG2' ' CB ' ' A' 1117 ' ' ALA . 66.7 Cg_exo -54.87 137.51 75.52 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.299 2.666 . . . . 0.0 112.684 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.27 -13.96 62.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.635 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.405 ' OE2' ' HA3' ' A' 1118 ' ' GLY . 32.1 tt0 -66.98 -29.93 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.674 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 40.0 mtt -63.59 -37.03 85.78 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.063 0.459 . . . . 0.0 110.094 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.93 -43.14 99.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.245 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 15.3 m -69.06 -43.29 74.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.947 178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.11 77.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.819 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.624 HD23 ' HB ' ' A' 1166 ' ' ILE . 2.4 tm? -59.49 -45.9 90.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.045 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 63.8 m -58.62 -36.1 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' 1060 ' ' LEU . 46.8 t -64.18 -44.71 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.379 . . . . 0.0 110.04 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 61.7 t -61.9 -39.6 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.267 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.511 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 77.0 mm-40 -58.59 -42.06 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 176.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -34.4 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.073 0.463 . . . . 0.0 110.438 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' 1056 ' ' VAL . 98.4 mt -70.89 -46.66 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.706 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.8 pt-20 -63.81 -36.92 85.48 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.284 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1058 ' ' GLN . 29.5 mtpp -60.37 -36.25 77.6 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.17 0.294 . . . . 0.0 110.934 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -51.96 67.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.002 0.429 . . . . 0.0 110.749 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.763 HD11 ' HB1' ' A' 1132 ' ' ALA . 7.5 mp -70.45 -21.84 62.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.604 -174.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' 1061 ' ' GLU . 29.7 mm-40 -67.77 -39.44 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -63.95 -53.04 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.491 175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.489 HG12 ' HD2' ' A' 1136 ' ' ARG . 1.8 mp -58.37 -37.23 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.267 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.348 . . . . 0.0 110.58 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.32 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.068 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.88 92.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -72.62 -27.89 62.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.8 -46.0 85.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.293 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.3 -18.82 44.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.65 37.47 5.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.859 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.36 -75.72 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' 1140 ' ' ALA . 39.4 mt 50.31 175.32 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.471 ' O ' ' HD2' ' A' 1080 ' ' PRO . 0.0 OUTLIER -139.62 115.63 8.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.45 176.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -81.78 9.43 3.93 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.349 2.033 . . . . 0.0 112.163 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 41.6 mt -76.9 -50.48 2.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.133 -176.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' 1077 ' ' LYS . 61.2 Cg_endo -73.18 16.37 0.45 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.133 1.889 . . . . 0.0 113.197 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -124.05 108.73 1.19 Allowed Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.07 -80.98 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.9 0.857 . . . . 0.0 110.651 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 40.0 p -136.51 157.21 47.33 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 113.906 -1.497 . . . . 0.0 109.014 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 45.1 ttm -62.51 -32.4 73.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.822 0.344 . . . . 0.0 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' 1085 ' ' GLU . 1.8 mp0 -58.82 -47.47 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.218 176.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -46.31 83.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.304 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 74.7 m -61.6 -50.32 73.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.24 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . 0.513 HG22 HD13 ' A' 1203 ' ' LEU . 25.5 p -64.05 -32.35 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.439 . . . . 0.0 111.057 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.65 -51.41 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.779 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 46.8 t0 -64.09 -36.46 84.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.136 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.85 HD23 HD11 ' A' 1203 ' ' LEU . 19.3 tp -58.71 -53.05 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.189 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.93 -43.58 97.28 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.923 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -67.48 -37.36 82.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.584 0.23 . . . . 0.0 111.448 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 38.8 m -73.22 -29.74 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.808 0.337 . . . . 0.0 110.496 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.722 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.1 m -58.21 -41.49 84.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.234 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -63.08 -29.66 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.915 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -76.06 -49.35 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.309 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.565 HG23 HG12 ' A' 1124 ' ' VAL . 4.0 p -74.7 -30.18 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 24.2 p -69.0 -37.21 78.57 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' 1104 ' ' LYS . 13.6 p -74.75 -27.9 60.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.363 0.601 . . . . 0.0 109.993 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.617 ' HA ' ' HE2' ' A' 1104 ' ' LYS . . . -72.09 -43.24 65.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.546 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.4 pt -64.14 -29.65 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.734 0.302 . . . . 0.0 110.733 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.59 -34.9 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 110.29 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' 1101 ' ' ALA . 53.8 mtmt -76.04 -28.99 57.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.72 -37.06 70.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.235 0.54 . . . . 0.0 110.684 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 50.5 tp -75.36 91.22 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.098 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -155.33 120.19 0.99 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.08 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -102.07 94.14 5.61 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 65.4 mt 67.7 95.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.789 -174.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -157.86 -77.33 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.084 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 86.17 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.131 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -96.92 -46.48 2.44 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' 1114 ' ' GLU . 17.1 t-20 65.51 -76.02 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 O-C-N 124.48 0.753 . . . . 0.0 112.2 173.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' 1113 ' ' ASN . 5.7 tp10 166.46 -51.79 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.601 ' O ' HG13 ' A' 1119 ' ' ILE . 24.2 t-20 -78.2 -48.18 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.7 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . 0.486 ' HA ' HD12 ' A' 1119 ' ' ILE . 48.0 m-85 -58.79 -46.02 88.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.599 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.552 ' CB ' ' HG2' ' A' 1047 ' ' PRO . . . -58.24 -39.88 80.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.676 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.405 ' HA3' ' OE2' ' A' 1049 ' ' GLU . . . -68.81 -35.77 80.62 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.191 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' 1115 ' ' ASN . 80.6 mt -55.55 -55.04 19.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.06 0.457 . . . . 0.0 110.659 177.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.73 77.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -71.83 -21.45 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.026 0.441 . . . . 0.0 110.736 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' 1122 ' ' ARG . 21.7 ttp180 -79.13 -44.53 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.093 175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -59.69 -42.74 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.378 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' 1128 ' ' LEU . 16.8 m -62.64 -46.3 96.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.327 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.71 -49.84 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.6 0.238 . . . . 0.0 110.838 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.87 -41.94 99.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.408 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.76 96.49 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.314 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' 1124 ' ' VAL . 83.5 mt -71.55 -25.93 62.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' 1125 ' ' ALA . 12.9 mtm180 -61.38 -56.29 21.97 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.422 0.629 . . . . 0.0 109.435 175.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.2 m -66.31 -33.63 76.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.469 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.531 HD22 HD12 ' A' 1091 ' ' LEU . 0.4 OUTLIER -54.23 -48.95 70.52 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 173.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.763 ' HB1' HD11 ' A' 1064 ' ' LEU . . . -62.52 -50.82 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.445 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' 1129 ' ' ARG . 50.3 mt-30 -57.98 -39.73 78.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.264 -177.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -73.31 -44.05 59.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.365 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.298 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.489 ' HD2' HG12 ' A' 1067 ' ' ILE . 29.5 mtm180 -61.48 -35.35 77.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.003 0.43 . . . . 0.0 110.156 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.487 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -65.01 -51.33 52.06 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.163 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.489 ' HB ' HG21 ' A' 1151 ' ' VAL . 73.8 t -53.92 -45.85 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.026 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.8 92.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.491 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' 1076 ' ' LEU . . . -71.56 -26.92 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.545 -177.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' 1137 ' ' GLY . 94.9 mt -80.18 -36.9 34.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.823 -177.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.512 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -78.05 146.73 35.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.925 0.393 . . . . 0.0 110.405 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 37.2 t -105.5 6.25 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.935 0.398 . . . . 0.0 110.425 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' 1148 ' ' GLN . 18.1 t70 -88.53 113.32 54.99 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -74.74 67.74 5.63 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.789 2.326 . . . . 0.0 111.707 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -164.72 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.572 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.512 HG23 HG21 ' A' 1142 ' ' THR . 29.0 m -69.62 -23.08 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.045 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.645 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.2 mt-30 -56.96 -42.83 80.86 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-O 121.144 0.497 . . . . 0.0 110.274 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.26 -37.96 68.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.751 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -38.73 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.737 -174.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.489 HG21 ' HB ' ' A' 1138 ' ' VAL . 3.5 p -72.55 -37.08 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.9 mt -74.8 -44.21 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -56.95 -46.68 81.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.64 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.536 ' O ' HG23 ' A' 1158 ' ' VAL . 10.9 p -64.52 -45.27 87.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.692 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.5 t -66.28 -35.02 79.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.07 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.32 -35.58 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.92 0.391 . . . . 0.0 109.999 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 1154 ' ' THR . 89.2 t -59.06 -58.65 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 176.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' 1061 ' ' GLU . 3.2 pp -65.32 -30.68 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.581 ' N ' HD12 ' A' 1159 ' ' LEU . 32.2 t70 -57.9 -49.69 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 176.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.7 mptt -77.22 -27.55 53.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.056 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -63.73 -47.17 82.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.01 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' 1167 ' ' GLU . 5.0 p -67.12 -45.74 76.27 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.03 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 68.9 m -57.26 -34.03 68.2 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.79 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -61.09 -51.88 67.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.624 ' HB ' HD23 ' A' 1054 ' ' LEU . 35.4 mt -67.19 -40.4 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.72 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1163 ' ' SER . 49.4 mt-10 -67.41 -45.88 74.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.51 -42.3 96.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . 0.627 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -61.23 -37.97 84.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.684 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -65.33 -36.77 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.101 0.477 . . . . 0.0 110.404 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.37 -43.48 50.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.913 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.439 ' HB1' ' OG ' ' A' 1181 ' ' SER . . . -72.35 -30.56 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.71 -176.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 70.3 m -69.97 136.41 50.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 110.196 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 105.31 8.37 35.84 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -117.37 101.01 53.03 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 102.79 1.25 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.903 2.402 . . . . 0.0 112.632 -175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 78.55 58.44 3.08 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.893 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' 1179 ' ' PRO . 13.2 t70 -108.56 116.3 56.41 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 120.754 0.311 . . . . 0.0 110.726 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.502 ' O ' ' HG2' ' A' 1183 ' ' GLN . 27.1 Cg_endo -63.45 -38.31 43.34 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.938 2.425 . . . . 0.0 112.301 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.9 -40.71 87.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.468 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . 0.439 ' OG ' ' HB1' ' A' 1172 ' ' ALA . 47.0 t -50.18 -43.12 52.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.503 177.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -62.96 -50.9 68.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.921 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1179 ' ' PRO . 7.6 mm100 -68.44 -48.41 64.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.313 -173.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -62.12 -43.41 98.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.117 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' 1169 ' ' ALA . 2.4 mm? -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.948 177.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.8 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.16 -49.35 70.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.408 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.79 HG13 ' HG ' ' A' 1165 ' ' LEU . 11.7 p -69.33 -36.81 73.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.346 -175.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -66.19 -40.09 90.18 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 177.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' 1193 ' ' THR . 17.7 tptm -67.98 -33.84 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.03 178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.95 91.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.74 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.462 HG21 HD12 ' A' 1165 ' ' LEU . 49.1 t -62.25 -41.48 91.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.945 0.402 . . . . 0.0 109.991 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' 1190 ' ' LYS . 62.8 m -51.19 -52.97 39.23 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.145 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -73.43 -37.8 65.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.595 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.56 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.722 ' HB3' HG23 ' A' 1095 ' ' THR . 76.4 mt -59.48 -52.61 64.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.125 177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.9 t30 -67.14 -32.21 73.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 tpt180 -68.39 -34.63 76.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.371 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 34.2 t -68.58 -48.45 64.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.344 0.592 . . . . 0.0 109.532 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.431 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 24.5 m -69.25 -21.92 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.978 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 11.8 t -77.49 -29.87 52.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 84.5 m -86.11 -1.53 57.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.397 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.85 HD11 HD23 ' A' 1091 ' ' LEU . 62.7 mt -65.2 122.6 80.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.929 0.395 . . . . 0.0 111.418 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 68.8 Cg_endo -85.9 108.05 0.95 Allowed 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.86 2.373 . . . . 0.0 111.687 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -80.1 73.24 2.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.468 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -79.32 111.54 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.009 0.433 . . . . 0.0 111.264 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.015 174.389 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' 1047 ' ' PRO . 4.1 mp -76.07 95.28 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.416 ' N ' ' HD2' ' A' 1043 ' ' PRO . 9.7 m-20 -67.92 -48.9 38.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -175.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' 1042 ' ' ASP . 67.2 Cg_endo -73.62 39.83 0.51 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.073 1.849 . . . . 0.0 112.976 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' 1042 ' ' ASP . 44.7 t80 -134.77 -4.29 2.53 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.905 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 73.3 p 48.65 40.6 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.652 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 131.9 72.62 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.683 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . 0.609 ' HB3' ' HB ' ' A' 1041 ' ' ILE . 74.5 Cg_endo -75.15 146.25 31.91 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.419 2.079 . . . . 0.0 111.651 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' A' 1051 ' ' ASP . 89.3 mt 59.46 61.5 2.0 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.226 0.536 . . . . 0.0 109.803 -177.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.512 ' HB3' ' HA2' ' A' 1118 ' ' GLY . 1.8 mp0 -51.05 -57.91 7.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.601 -174.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 58.2 mtt -72.82 -31.98 65.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.538 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . 0.706 ' HB3' ' HB3' ' A' 1048 ' ' LEU . 38.7 t70 -73.69 -37.21 65.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.683 0.278 . . . . 0.0 110.94 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.7 m -71.4 -29.68 65.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 0.0 110.166 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -72.22 -36.78 69.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.942 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' 1166 ' ' ILE . 59.4 tp -64.79 -42.63 94.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.126 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 10.4 p -61.56 -31.91 71.97 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.642 0.258 . . . . 0.0 110.752 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.542 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.1 t -62.4 -46.34 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 173.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1060 ' ' LEU . 44.1 t -65.5 -36.98 78.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.743 178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1054 ' ' LEU . 34.4 mm-40 -61.94 -32.89 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -76.13 -27.56 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.632 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.634 HD21 ' HG2' ' A' 1129 ' ' ARG . 98.3 mt -67.75 -45.73 74.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.677 ' HB3' HD13 ' A' 1159 ' ' LEU . 7.1 pt-20 -64.36 -41.97 96.44 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.633 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 95.8 mttt -67.54 -28.38 67.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -52.33 55.23 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.745 HD21 ' HB1' ' A' 1132 ' ' ALA . 25.0 mt -67.74 -28.75 67.9 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.826 -177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' 1061 ' ' GLU . 14.8 mm100 -62.18 -29.5 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.751 176.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.66 -37.94 65.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.063 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.635 HG22 HD13 ' A' 1152 ' ' LEU . 2.1 mp -67.48 -38.79 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.87 -50.68 72.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.07 86.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . 0.478 ' HB1' ' H ' ' A' 1076 ' ' LEU . . . -61.7 -44.92 96.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.388 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.465 ' HB2' HD21 ' A' 1076 ' ' LEU . . . -67.69 -35.56 79.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.706 0.288 . . . . 0.0 111.379 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.477 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -64.12 -40.45 96.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.111 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -76.03 -38.34 57.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 107.8 36.15 2.45 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -173.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -104.54 -68.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.331 -0.435 . . . . 0.0 110.798 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.478 ' H ' ' HB1' ' A' 1070 ' ' ALA . 14.0 mt 51.05 -178.18 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.216 1.006 . . . . 0.0 113.58 -176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -136.59 99.13 10.65 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.576 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.503 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 12.0 Cg_exo -69.66 -72.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.577 2.184 . . . . 0.0 111.91 178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.8 mp 50.23 86.23 0.16 Allowed Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.755 0.659 . . . . 0.0 111.061 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.41 138.21 47.32 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.396 2.731 . . . . 0.0 113.001 -175.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 163.27 -49.61 0.31 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -98.82 129.31 45.21 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 66.8 p -90.42 169.82 10.75 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.8 tpp -58.44 -44.17 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 176.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -44.3 97.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -57.79 -54.44 46.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.569 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 71.6 m -65.3 -44.66 87.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.6 p -64.11 -36.13 83.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 110.966 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.15 -49.51 60.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.344 176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.29 -33.23 74.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.714 ' HG ' HD21 ' A' 1203 ' ' LEU . 0.3 OUTLIER -57.3 -54.08 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 175.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.527 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -65.54 -27.48 72.62 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.504 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -78.22 -40.87 36.09 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.542 -0.387 . . . . 0.0 111.065 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.449 ' O ' HG12 ' A' 1098 ' ' VAL . 20.1 m -63.57 -34.43 77.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.761 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.0 m -55.51 -49.04 73.63 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.165 172.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' 1092 ' ' GLY . 55.6 mttp -62.03 -44.58 96.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.02 -61.66 2.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.531 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' 1094 ' ' SER . 7.7 p -67.78 -26.48 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.595 0.236 . . . . 0.0 111.043 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 22.7 t -67.42 -37.98 83.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.986 0.422 . . . . 0.0 110.161 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' 1104 ' ' LYS . 23.1 t -69.9 -35.81 74.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.563 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -65.85 -49.29 68.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.665 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.429 ' HB ' HD23 ' A' 1106 ' ' LEU . 36.0 pt -62.96 -23.73 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.604 0.24 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -64.89 -45.96 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.573 . . . . 0.0 109.955 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.525 ' HE3' ' CE1' ' A' 1116 ' ' TYR . 26.1 mmmt -76.39 -24.03 54.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.119 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' 1102 ' ' ILE . 2.7 tm? -78.94 -51.47 9.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.772 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' 1185 ' ' LEU . 3.4 mm? -81.79 -5.52 58.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -176.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -137.84 176.05 20.9 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.697 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 64.38 21.38 12.47 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.144 0.578 . . . . 0.0 112.218 174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.527 HG22 ' HG3' ' A' 1114 ' ' GLU . 51.0 mm 65.97 102.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 112.116 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -125.35 20.73 8.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.158 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.34 98.54 10.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.671 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 100.72 -166.6 19.45 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.33 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -76.67 45.94 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.006 0.432 . . . . 0.0 111.582 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.527 ' HG3' HG22 ' A' 1109 ' ' ILE . 22.8 mm-40 -69.71 -73.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.313 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -179.41 -55.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.068 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . 0.525 ' CE1' ' HE3' ' A' 1104 ' ' LYS . 41.6 m-85 -67.55 -26.84 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.78 -177.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -51.26 -48.63 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.322 0.389 . . . . 0.0 111.345 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -79.59 -49.63 6.06 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.111 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.7 -54.95 22.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.415 ' HB3' HD23 ' A' 1105 ' ' LEU . . . -70.27 -37.11 74.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -173.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.45 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.321 0.581 . . . . 0.0 110.312 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -72.08 -35.74 69.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.213 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.3 t70 -73.5 -41.3 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.251 -177.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . . . . . . . . . 24.4 m -58.23 -38.72 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -63.97 -43.17 96.55 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.4 96.0 Favored Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.319 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.16 -44.42 97.4 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.814 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' 1162 ' ' ALA . 2.4 mp -62.58 -37.63 86.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' 1125 ' ' ALA . 54.7 mtp180 -60.72 -55.46 32.88 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.264 0.554 . . . . 0.0 110.003 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 5.1 m -59.89 -37.66 80.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.628 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.43 -56.19 25.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.821 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.745 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.28 -46.38 88.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.925 -177.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.67 -39.74 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.224 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1138 ' ' VAL . . . -68.57 -40.56 80.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.77 0.319 . . . . 0.0 110.742 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.42 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -62.09 -48.31 80.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.676 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' 1067 ' ' ILE . 35.7 ptt180 -70.48 -23.51 62.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.66 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.462 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.1 -47.59 58.42 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 171.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1134 ' ' ALA . 56.8 t -51.47 -50.65 28.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.823 0.344 . . . . 0.0 110.977 175.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.424 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -62.39 -33.4 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.975 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.503 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -76.19 -26.34 56.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 111.017 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 1137 ' ' GLY . 73.6 mt -86.98 -38.6 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.272 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.511 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.1 t -75.61 150.05 38.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.132 0.491 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 35.7 t -118.01 12.01 13.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.662 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -88.34 110.61 37.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.392 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.65 68.79 3.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.19 2.594 . . . . 0.0 112.754 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -167.07 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.154 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' 1151 ' ' VAL . 27.5 m -71.93 -25.0 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.219 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.557 ' O ' ' HG ' ' A' 1152 ' ' LEU . 16.2 mt-30 -57.89 -55.82 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.197 0.522 . . . . 0.0 110.802 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.24 67.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.3 OUTLIER -74.21 -39.6 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.89 -175.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' 1147 ' ' VAL . 5.3 p -65.94 -36.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.158 0.504 . . . . 0.0 110.686 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.635 HD13 HG22 ' A' 1067 ' ' ILE . 30.9 mt -73.42 -44.52 58.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.317 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.939 -178.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.452 ' O ' HG23 ' A' 1158 ' ' VAL . 21.3 p -63.41 -43.53 97.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.201 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.08 79.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.181 0.515 . . . . 0.0 110.92 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 33.6 m -71.49 -36.47 71.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.818 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . 0.468 ' O ' ' HD3' ' A' 1161 ' ' LYS . 26.5 t70 -63.75 -33.07 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.43 . . . . 0.0 110.012 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1154 ' ' THR . 98.7 t -58.04 -56.78 13.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.539 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.3 pp -68.23 -30.94 70.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.518 ' N ' HD12 ' A' 1159 ' ' LEU . 13.7 m-20 -58.32 -52.9 63.65 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.143 0.497 . . . . 0.0 110.567 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' 1157 ' ' ASP . 0.5 OUTLIER -65.54 -40.27 92.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.494 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' 1128 ' ' LEU . . . -64.24 -35.3 80.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.569 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' 1167 ' ' GLU . 65.0 m -63.57 -44.96 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.309 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 9.9 t -66.46 -32.03 73.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.106 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.554 HD11 HD21 ' A' 1106 ' ' LEU . 57.8 tp -59.32 -49.42 77.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.136 173.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' 1054 ' ' LEU . 91.7 mt -66.34 -41.41 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' 1163 ' ' SER . 46.2 mt-10 -60.72 -50.88 71.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.398 . . . . 0.0 110.499 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -56.83 -46.32 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.612 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.34 90.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.408 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -60.55 -41.08 93.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.065 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -77.7 -39.75 43.66 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.674 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.76 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 22.5 m -62.99 -26.12 68.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.325 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -93.8 4.65 72.31 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 2.2 m170 -98.7 123.89 48.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.531 0.205 . . . . 0.0 111.488 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.64 -15.84 21.49 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.308 2.005 . . . . 0.0 110.664 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -132.85 101.7 0.45 Allowed Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.429 ' N ' ' CD ' ' A' 1179 ' ' PRO . 6.2 p30 -122.89 32.61 0.21 Allowed Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -172.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' 1183 ' ' GLN . 30.8 Cg_endo -63.52 -49.24 4.64 Favored 'Trans proline' 0 C--N 1.358 1.072 0 CA-C-N 121.018 1.399 . . . . 0.0 111.824 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -74.53 -32.5 62.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.114 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 5.2 t -64.07 -46.62 83.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.628 ' HA ' HD12 ' A' 1185 ' ' LEU . 79.4 mt-30 -69.83 -22.9 63.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.475 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.499 ' O ' ' HG3' ' A' 1187 ' ' GLN . 68.5 mm-40 -64.46 -41.53 96.47 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -66.34 -40.42 89.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.437 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' 1182 ' ' GLN . 88.6 mt -54.59 -50.42 68.05 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.869 176.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.329 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 1183 ' ' GLN . 52.9 mt-30 -63.55 -53.19 55.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.918 0.389 . . . . 0.0 111.209 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' 1192 ' ' VAL . 7.6 p -69.27 -29.19 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.41 -172.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.425 ' HB2' ' HG ' ' A' 1106 ' ' LEU . . . -60.66 -43.91 97.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.155 0.503 . . . . 0.0 110.342 175.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 59.8 mttp -72.09 -30.42 65.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.46 96.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' 1188 ' ' VAL . 61.9 t -61.97 -43.05 97.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.138 0.495 . . . . 0.0 110.003 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 -38.49 87.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.994 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -72.75 -39.92 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.311 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.74 82.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.266 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.761 ' HB3' HG23 ' A' 1095 ' ' THR . 86.7 mt -58.34 -49.49 77.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.356 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.459 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.8 t30 -62.6 -37.81 87.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.962 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.07 -38.56 89.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.529 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 11.6 t -72.3 -47.3 51.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.623 HG12 HD12 ' A' 1091 ' ' LEU . 32.7 m -67.85 -21.91 27.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.458 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 26.3 t -76.85 -31.2 56.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.145 0.498 . . . . 0.0 110.026 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . 0.414 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 82.8 m -86.2 -12.95 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.714 HD21 ' HG ' ' A' 1091 ' ' LEU . 77.5 mt -58.19 125.25 74.22 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 177.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -69.03 88.32 0.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.455 2.103 . . . . 0.0 112.146 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -99.5 2.38 57.43 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -75.39 101.34 4.74 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.086 -0.557 . . . . 0.0 110.162 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' 1207 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.879 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.16 174.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 41.4 pt -85.65 -27.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.631 ' H ' ' HD2' ' A' 1043 ' ' PRO . 36.0 t70 -108.82 -57.07 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.462 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.631 ' HD2' ' H ' ' A' 1042 ' ' ASP . 38.2 Cg_endo -67.39 129.96 21.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.587 1.525 . . . . 0.0 111.456 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 62.3 t80 -122.42 84.12 2.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.425 0.631 . . . . 0.0 109.502 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 43.3 p -104.22 9.28 36.17 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.373 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 95.96 93.95 1.78 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.502 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.46 -0.85 11.05 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.926 2.418 . . . . 0.0 112.268 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 7.8 mp 62.22 89.44 0.08 Allowed 'General case' 0 C--O 1.233 0.237 0 O-C-N 123.746 0.654 . . . . 0.0 111.63 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.9 -37.9 77.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.555 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 51.9 mtt -58.34 -49.52 76.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.332 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -34.87 74.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.382 . . . . 0.0 110.415 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 20.8 m -63.54 -41.11 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -65.47 -43.8 89.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.324 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.544 ' HB2' HG21 ' A' 1166 ' ' ILE . 46.1 tp -54.62 -34.67 62.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.77 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 28.5 t -60.42 -50.37 73.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.63 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.0 m -69.89 -30.87 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.673 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' 1060 ' ' LEU . 88.8 t -65.39 -40.94 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.0 110.307 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' 1061 ' ' GLU . 49.5 mt-30 -65.17 -36.26 83.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -65.62 -30.5 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.465 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.724 HD21 ' HG2' ' A' 1129 ' ' ARG . 93.8 mt -72.74 -50.71 22.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.214 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.664 ' HB3' HD13 ' A' 1159 ' ' LEU . 0.0 OUTLIER -61.82 -38.99 90.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.94 -177.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.95 -34.01 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.484 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' 1067 ' ' ILE . 31.6 t70 -61.22 -47.68 84.96 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.373 0.606 . . . . 0.0 109.649 174.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' 1132 ' ' ALA . 13.0 mt -68.11 -27.02 66.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.847 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1061 ' ' GLU . 15.5 mm100 -63.51 -41.46 98.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 110.444 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -67.05 -44.06 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.005 0.431 . . . . 0.0 110.558 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' 1063 ' ' ASP . 39.5 mt -64.55 -32.76 59.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 110.336 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.73 -41.16 98.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.997 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.34 95.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.149 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.88 99.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.97 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.958 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -41.99 94.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.276 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.81 -46.32 18.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.16 40.28 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.628 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -117.86 15.17 14.34 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.564 ' O ' ' HD3' ' A' 1078 ' ' PRO . 67.4 mt -63.07 147.99 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.221 176.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -97.43 100.62 8.35 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.383 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' 1076 ' ' LEU . 93.0 Cg_endo -83.71 -17.74 5.94 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.623 2.215 . . . . 0.0 112.997 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.517 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 11.1 mp -66.1 -51.94 42.43 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.189 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 95.4 Cg_endo -91.8 -166.15 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.232 1.954 . . . . 0.0 111.749 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 102.63 14.31 27.81 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.638 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.13 -170.97 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.917 0.389 . . . . 0.0 111.13 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 11.2 p -88.11 156.18 19.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 0.0 111.209 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 40.9 ttm -64.49 -43.47 94.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.782 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.18 -37.81 86.52 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.701 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.42 -53.71 55.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' 1091 ' ' LEU . 69.3 m -60.65 -46.57 89.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.49 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 13.2 p -67.67 -42.18 82.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -71.84 -48.79 43.72 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.665 0.269 . . . . 0.0 111.243 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -24.55 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.437 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.845 HD23 HD11 ' A' 1203 ' ' LEU . 14.8 tp -59.6 -40.94 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.343 0.592 . . . . 0.0 109.428 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -66.94 -32.27 80.47 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.757 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -67.87 -40.28 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.1 m -65.96 -37.73 86.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.871 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' 1196 ' ' LEU . 96.9 m -56.44 -43.56 79.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.634 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' 1092 ' ' GLY . 28.0 mtpp -58.67 -40.97 85.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.926 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -65.54 -47.08 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.818 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . . . . . . . . . 61.5 t -63.67 -45.39 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.719 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 23.0 t -60.79 -34.09 73.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.902 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 47.3 m -75.2 -42.73 55.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.81 0.338 . . . . 0.0 110.485 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -61.09 -46.48 90.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.428 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.545 ' HA ' HD12 ' A' 1105 ' ' LEU . 25.1 pt -64.5 -23.19 32.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.997 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -75.17 -36.4 61.5 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.542 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -73.88 -27.26 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.627 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' 1102 ' ' ILE . 95.2 mt -64.41 -25.69 68.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.954 0.407 . . . . 0.0 110.192 175.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1102 ' ' ILE . 84.2 mt -81.0 4.74 18.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.848 177.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -92.81 111.11 4.03 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.955 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . 0.508 ' HB3' ' HG3' ' A' 1111 ' ' GLN . 3.3 tm-20 -73.39 150.5 41.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' 1114 ' ' GLU . 73.7 mt -52.3 -48.59 44.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -173.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -74.45 0.58 14.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . 0.508 ' HG3' ' HB3' ' A' 1108 ' ' GLU . 45.5 mt-30 -91.72 -17.21 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 110.627 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -168.29 -91.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.583 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -134.9 135.73 41.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.588 0.232 . . . . 0.0 110.637 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.447 ' HB3' HG23 ' A' 1109 ' ' ILE . 8.8 pt-20 -59.08 -28.13 66.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.185 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.418 HD22 ' HA ' ' A' 1115 ' ' ASN . 6.8 m120 -63.51 -20.14 65.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.576 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -57.02 -32.01 65.71 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.643 0.259 . . . . 0.0 110.831 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -59.65 -46.76 88.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.851 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.47 -37.51 20.39 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.584 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.33 -53.29 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.725 0.298 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.28 71.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.198 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.96 71.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . 0.489 ' HD3' ' C ' ' A' 1122 ' ' ARG . 1.7 tmt_? -69.37 -40.37 77.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.083 174.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.73 -41.0 92.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.222 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.605 ' O ' HD22 ' A' 1128 ' ' LEU . 12.6 m -67.79 -39.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.472 175.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -55.89 -48.08 76.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . 0.424 ' HA2' ' HE ' ' A' 1129 ' ' ARG . . . -71.86 -35.55 61.7 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.792 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -60.4 -51.17 60.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.558 -0.353 . . . . 0.0 112.979 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' 1124 ' ' VAL . 0.3 OUTLIER -65.0 -26.37 68.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.133 0.466 . . . . 0.0 111.619 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.724 ' HG2' HD21 ' A' 1060 ' ' LEU . 46.1 mtm180 -64.9 -53.13 51.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.279 0.561 . . . . 0.0 109.709 175.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.0 m -60.21 -40.9 91.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.691 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.598 HD13 HD11 ' A' 1091 ' ' LEU . 0.4 OUTLIER -58.0 -51.02 71.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.831 177.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.96 -55.17 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.122 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.573 ' HG3' ' N ' ' A' 1134 ' ' ALA . 13.3 pt20 -59.35 -45.12 92.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.288 . . . . 0.0 111.751 -172.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . 0.573 ' N ' ' HG3' ' A' 1133 ' ' GLN . . . -66.45 -41.24 89.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.455 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.939 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1132 ' ' ALA . 11.8 mmm180 -70.98 -35.77 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.369 -176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.492 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.81 -39.0 96.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.974 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 73.8 t -55.45 -48.66 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.972 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.92 65.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.16 55.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.81 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1137 ' ' GLY . 92.7 mt -70.68 -41.0 72.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.787 -176.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' 1148 ' ' GLN . 9.0 t -77.77 145.96 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.988 0.423 . . . . 0.0 110.311 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.8 m -115.23 23.45 12.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' 1148 ' ' GLN . 13.0 m-20 -104.59 113.09 65.34 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.479 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.5 Cg_exo -72.07 67.37 3.32 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.3 2.667 . . . . 0.0 112.45 -177.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.22 -57.21 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.037 175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1151 ' ' VAL . 30.8 m -66.97 -28.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.326 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.671 ' O ' ' HG ' ' A' 1152 ' ' LEU . 25.4 mt-30 -55.97 -44.93 78.99 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-O 121.272 0.558 . . . . 0.0 110.453 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.48 -37.42 63.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.546 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -39.43 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.673 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' 1147 ' ' VAL . 4.0 p -70.98 -35.22 58.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.038 0.447 . . . . 0.0 110.971 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' 1148 ' ' GLN . 31.8 mt -78.24 -42.19 31.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 0.0 110.203 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.3 -45.01 84.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.839 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.545 ' O ' HG23 ' A' 1158 ' ' VAL . 19.3 p -69.56 -39.87 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.277 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.62 88.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.233 0.54 . . . . 0.0 110.44 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 15.0 m -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.343 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.22 -40.37 86.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.476 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1154 ' ' THR . 90.8 t -57.79 -56.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -65.36 -30.36 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.293 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' 1159 ' ' LEU . 33.7 t70 -57.06 -49.94 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.107 0.479 . . . . 0.0 110.37 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' 1161 ' ' LYS . 12.2 mptt -77.25 -32.41 55.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.672 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -65.13 -37.58 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.356 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 32.1 m -64.23 -45.06 89.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 110.272 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 1168 ' ' GLU . 51.7 m -73.17 -18.6 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.496 HD21 HG22 ' A' 1102 ' ' ILE . 31.5 tp -68.25 -45.3 73.58 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 171.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' 1054 ' ' LEU . 59.8 mt -66.78 -48.91 78.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.292 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' 1170 ' ' LYS . 4.2 mm-40 -63.6 -28.72 70.12 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 176.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.2 tp10 -60.41 -51.13 70.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.75 74.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.053 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . 0.487 ' HG3' ' HA ' ' A' 1167 ' ' GLU . 6.1 mmmm -50.79 -47.37 59.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.454 . . . . 0.0 110.415 174.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' A' 1175 ' ' HIS . 45.8 mttp -76.61 -50.63 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.587 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.15 67.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.816 -173.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 21.7 p -68.74 -9.62 51.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -104.9 12.19 49.49 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.5 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 87.8 m-70 -123.73 77.92 56.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.395 0.14 . . . . 0.0 110.685 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.2 -14.38 9.58 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.216 1.944 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -115.68 13.72 17.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.709 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 9.9 m-20 -106.21 115.75 60.54 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.625 ' O ' ' HG2' ' A' 1182 ' ' GLN . 37.8 Cg_endo -67.14 -27.07 42.1 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.41 2.074 . . . . 0.0 111.526 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' 1184 ' ' ARG . 10.8 mm-40 -71.12 -19.17 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.161 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 21.8 t -60.28 -40.97 92.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.715 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' 1179 ' ' PRO . 13.8 pt20 -66.73 -33.28 75.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.732 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.57 -38.82 77.56 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 110.369 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' 1180 ' ' GLU . 18.9 mtp180 -56.96 -52.03 66.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.792 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.37 -47.71 75.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.601 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.51 90.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.53 63.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.06 -175.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . . . . . . . . . 14.5 p -77.13 -32.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.374 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.05 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.166 0.508 . . . . 0.0 109.963 174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 29.7 ttpp -66.36 -40.07 89.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.853 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.07 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 99.3 t -63.33 -44.69 99.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.289 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 46.0 m -57.92 -47.0 84.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.08 -35.25 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.099 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.515 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' 1095 ' ' THR . 91.3 mt -58.1 -52.38 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 177.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.504 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.9 t30 -64.12 -37.45 87.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.477 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -59.55 -38.7 81.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.816 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . 0.527 ' O ' ' HG ' ' A' 1203 ' ' LEU . 24.4 t -74.21 -51.25 16.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 0.0 110.096 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.5 m -67.15 -21.64 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.001 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 13.6 t -77.51 -41.25 39.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.662 0.268 . . . . 0.0 111.159 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' 1154 ' ' THR . 20.9 p -86.86 -1.42 57.78 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -175.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.845 HD11 HD23 ' A' 1091 ' ' LEU . 57.7 mt -56.81 121.6 46.18 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . 0.456 ' HG3' ' HB ' ' A' 1147 ' ' VAL . 56.8 Cg_endo -77.27 98.88 1.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.36 2.04 . . . . 0.0 110.558 169.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -126.65 41.51 1.61 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -116.05 146.32 42.28 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.773 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' 1207 ' ' ARG . 16.1 ptt85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.865 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 48.1 mm -114.0 113.56 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.892 0.377 . . . . 0.0 110.433 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.25 152.45 79.0 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.744 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.33 92.99 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.586 2.191 . . . . 0.0 112.481 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 31.9 t80 -146.47 16.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.714 0.769 . . . . 0.0 109.198 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 19.0 p -101.16 26.9 6.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.421 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' 1047 ' ' PRO . . . 102.41 69.78 0.84 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.529 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . 0.446 ' HD3' ' H ' ' A' 1046 ' ' GLY . 21.5 Cg_exo -65.51 -46.32 5.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.58 2.186 . . . . 0.0 111.799 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 93.0 mt -134.74 143.49 47.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.479 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.56 -40.44 83.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.249 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.585 ' HE1' ' HB1' ' A' 1117 ' ' ALA . 34.6 mtt -57.94 -37.81 74.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.256 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.31 -39.75 71.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.048 0.452 . . . . 0.0 110.144 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1056 ' ' VAL . 16.8 t -63.43 -47.23 82.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.797 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.66 99.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.028 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' 1058 ' ' GLN . 58.0 tp -59.45 -39.89 85.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 177.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 69.7 m -60.92 -35.8 77.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.722 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.578 ' HA ' ' ND2' ' A' 1059 ' ' ASN . 58.3 t -65.07 -41.96 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.124 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 33.8 t -62.22 -35.28 68.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' 1054 ' ' LEU . 71.4 mt-30 -65.45 -37.95 88.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.569 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . 0.578 ' ND2' ' HA ' ' A' 1056 ' ' VAL . 11.7 p30 -76.46 -26.83 55.81 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.205 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1056 ' ' VAL . 91.3 mt -67.66 -45.46 75.2 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.633 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' 1065 ' ' GLN . 7.9 pt-20 -63.92 -36.96 85.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' 1058 ' ' GLN . 98.6 mttt -58.87 -48.97 79.51 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 110.44 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' 1067 ' ' ILE . 5.8 m-20 -62.96 -40.03 96.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.982 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' 1132 ' ' ALA . 12.2 mt -66.61 -33.23 75.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' 1061 ' ' GLU . 80.8 mm-40 -61.47 -42.64 99.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.054 0.454 . . . . 0.0 110.462 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.98 -42.85 75.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.089 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' 1063 ' ' ASP . 79.4 mt -65.68 -32.39 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.502 178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.08 -45.97 91.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.253 0.549 . . . . 0.0 110.161 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.09 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.492 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.41 86.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' 1076 ' ' LEU . . . -64.88 -41.35 95.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.778 177.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.19 -39.38 89.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.621 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' 1075 ' ' LYS . 25.0 t70 -73.43 -36.11 65.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 112.36 9.68 19.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.338 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' 1073 ' ' ASP . 31.6 mmmt -92.36 10.6 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 111.166 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1071 ' ' ALA . 47.1 tp -60.5 121.21 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' 1079 ' ' LEU . 59.6 tptt -58.3 107.73 1.05 Allowed Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 123.057 0.543 . . . . 0.0 110.738 -178.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.615 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 57.6 Cg_endo -79.05 -13.71 13.91 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.348 2.032 . . . . 0.0 112.452 -173.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.41 ' O ' ' HE3' ' A' 1077 ' ' LYS . 8.4 mp -115.11 90.56 24.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.398 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.77 -17.25 37.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.606 2.204 . . . . 0.0 111.478 177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 94.24 5.89 61.84 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . 0.771 ' HB2' ' HD3' ' A' 1086 ' ' LYS . 11.0 pt-20 -147.84 167.56 24.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 6.2 p -83.54 164.99 19.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.25 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.6 ttm -63.14 -33.99 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.58 -36.03 68.89 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.252 0.345 . . . . 0.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . 0.771 ' HD3' ' HB2' ' A' 1082 ' ' GLU . 29.1 mtpt -66.71 -50.45 62.79 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.599 177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 63.9 m -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.394 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 23.7 p -69.42 -34.55 74.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.045 0.45 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -74.76 -44.2 50.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.207 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -62.55 -36.26 82.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.409 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.469 HD23 HD11 ' A' 1203 ' ' LEU . 15.7 tp -61.26 -40.98 96.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.41 67.67 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.846 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.39 -44.43 95.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.636 0.255 . . . . 0.0 111.121 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' 1130 ' ' SER . 6.2 p -64.88 -43.13 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.488 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1196 ' ' LEU . 53.2 m -53.59 -51.8 61.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.581 174.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.45 -41.19 93.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -62.32 -58.77 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.268 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' 1094 ' ' SER . 8.1 p -68.01 -30.01 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.213 -176.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.0 t -62.5 -34.16 76.32 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.993 0.425 . . . . 0.0 110.374 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 17.5 m -75.24 -31.38 60.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.217 0.532 . . . . 0.0 110.274 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.448 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -76.05 -43.84 41.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.667 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 26.7 pt -62.79 -25.27 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.681 0.277 . . . . 0.0 110.914 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.27 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 74.2 mmtt -76.76 -36.52 57.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.772 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.7 -37.11 86.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.282 0.563 . . . . 0.0 110.241 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.627 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 44.6 tp -60.53 116.5 4.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.559 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 103.73 133.89 8.04 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.576 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -72.49 123.2 22.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' 1114 ' ' GLU . 10.4 tt -115.99 132.37 65.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 67.33 -85.35 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 O-C-N 124.0 0.813 . . . . 0.0 111.073 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -140.5 -39.75 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.416 0.627 . . . . 0.0 109.863 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . 0.604 ' HA3' ' HA ' ' A' 1173 ' ' SER . . . 156.05 130.06 1.25 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 8.2 t30 65.21 95.52 0.05 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.688 0.756 . . . . 0.0 109.562 -173.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.605 ' H ' ' HB3' ' A' 1117 ' ' ALA . 4.3 tm-20 -123.66 172.73 8.59 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.563 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.474 ' H ' ' CD ' ' A' 1114 ' ' GLU . 3.9 t-20 -58.98 -46.78 87.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -58.92 -37.97 77.89 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.791 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.605 ' HB3' ' H ' ' A' 1114 ' ' GLU . . . -62.0 -41.58 98.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.663 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -69.59 -44.08 65.38 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.109 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' 1115 ' ' ASN . 76.9 mt -57.61 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.675 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -66.38 -37.68 85.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.428 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -64.89 -40.04 94.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 110.735 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -67.72 -35.1 78.15 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.317 0.579 . . . . 0.0 109.996 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . 0.448 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 25.9 t70 -73.91 -39.35 63.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.354 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.675 ' O ' ' HG ' ' A' 1128 ' ' LEU . 29.6 m -62.33 -40.32 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.568 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -58.1 -44.7 87.81 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.849 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.28 97.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.302 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.73 72.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.215 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' 1124 ' ' VAL . 88.4 mt -64.36 -41.07 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' 1133 ' ' GLN . 19.7 ptt85 -65.2 -40.06 93.65 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.988 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' 1094 ' ' SER . 16.4 m -66.32 -39.61 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.437 HD22 HD12 ' A' 1091 ' ' LEU . 0.5 OUTLIER -57.23 -48.41 78.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.492 176.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.302 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' 1129 ' ' ARG . 25.6 mt-30 -60.55 -44.29 96.29 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.8 -177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.66 94.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.791 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -63.01 -34.44 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.133 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' 1132 ' ' ALA . 2.8 mmp_? -65.14 -44.38 88.79 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.128 0.489 . . . . 0.0 110.018 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -61.86 -47.73 88.33 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.355 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 53.2 t -54.06 -46.24 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.26 94.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.029 0.443 . . . . 0.0 111.397 -178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -74.61 -26.21 59.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.266 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . . . . . . . . . 75.4 mt -85.42 -37.35 19.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . . . . . . . . . 9.3 t -72.61 150.68 42.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.95 0.405 . . . . 0.0 110.319 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' 1145 ' ' PRO . 19.9 m -105.15 5.27 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.454 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.6 t70 -92.85 108.86 35.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.528 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1143 ' ' SER . 2.9 Cg_exo -76.25 66.17 7.09 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.673 2.248 . . . . 0.0 111.621 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -163.42 -46.4 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.261 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' 1151 ' ' VAL . 23.8 m -72.98 -23.08 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 173.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.688 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.9 mt-30 -57.76 -55.07 39.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.33 71.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' 1147 ' ' VAL . 0.9 OUTLIER -72.54 -46.53 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.618 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' 1147 ' ' VAL . 2.7 p -63.93 -32.59 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 121.397 0.618 . . . . 0.0 110.814 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' 1148 ' ' GLN . 33.6 mt -73.97 -43.85 56.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.699 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.85 -43.1 84.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.652 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.513 ' O ' HG23 ' A' 1158 ' ' VAL . 5.7 p -59.93 -40.2 88.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.482 0.182 . . . . 0.0 111.311 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . 0.449 ' HB3' ' NH2' ' A' 1136 ' ' ARG . . . -63.91 -31.24 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.443 . . . . 0.0 110.93 176.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 8.1 t -71.36 -35.15 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.7 -39.61 88.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.073 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 1154 ' ' THR . 97.7 t -53.26 -57.11 5.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 177.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.552 HD21 HD12 ' A' 1064 ' ' LEU . 4.4 pp -69.4 -30.25 68.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.068 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.517 ' N ' HD12 ' A' 1159 ' ' LEU . 25.5 t70 -57.98 -49.36 77.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.006 0.431 . . . . 0.0 110.624 177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' 1161 ' ' LYS . 10.3 mptt -70.39 -36.65 74.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.362 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.4 71.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 110.799 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 37.1 m -63.37 -51.61 65.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.845 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 14.3 m -61.91 -29.26 70.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.768 ' HG ' HG13 ' A' 1188 ' ' VAL . 1.6 tt -65.49 -49.76 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.458 ' HB ' HD13 ' A' 1054 ' ' LEU . 67.8 mt -70.38 -38.78 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.007 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' 1170 ' ' LYS . 46.9 mt-10 -66.5 -39.35 88.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.063 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.0 -35.6 81.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 110.13 174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.06 68.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.509 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' 1167 ' ' GLU . 21.9 mmtp -60.84 -35.67 77.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.977 0.418 . . . . 0.0 110.075 172.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.13 -42.95 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.647 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.597 ' HA ' ' NE2' ' A' 1175 ' ' HIS . . . -55.28 -35.91 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.522 0.514 . . . . 0.0 110.867 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . 0.604 ' HA ' ' HA3' ' A' 1112 ' ' GLY . 38.6 t -77.2 -45.01 28.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.374 175.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -96.58 58.78 1.31 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.457 -175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.597 ' NE2' ' HA ' ' A' 1172 ' ' ALA . 0.6 OUTLIER -167.73 158.82 9.69 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -83.19 -21.67 4.44 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.039 1.826 . . . . 0.0 113.084 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 157.74 95.33 0.11 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.006 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -117.42 122.39 31.01 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-O 120.589 0.233 . . . . 0.0 110.937 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' A' 1183 ' ' GLN . 21.0 Cg_endo -61.69 -42.0 35.17 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.297 2.665 . . . . 0.0 112.92 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' 1184 ' ' ARG . 10.1 mm-40 -60.5 -44.84 95.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.655 0.264 . . . . 0.0 111.262 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . 0.5 ' HB3' ' HE1' ' A' 1175 ' ' HIS . 34.4 t -56.77 -53.35 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.216 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -67.26 -27.06 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' 1179 ' ' PRO . 75.3 mm-40 -80.28 -42.42 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.176 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' 1180 ' ' GLU . 37.3 mmt180 -64.5 -37.29 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.133 177.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.449 ' HA ' HG12 ' A' 1188 ' ' VAL . 14.2 tp -62.26 -33.8 75.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 177.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . 0.627 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -70.46 -43.08 70.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.566 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -67.25 -46.54 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.768 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.7 p -67.57 -33.04 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.599 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.475 ' HA ' HD11 ' A' 1165 ' ' LEU . . . -61.1 -42.57 98.77 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.294 0.569 . . . . 0.0 110.047 175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -71.01 -34.91 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.407 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.55 88.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.609 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1188 ' ' VAL . 67.7 t -63.59 -39.63 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.333 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 41.6 m -57.56 -42.38 82.9 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.546 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.39 -35.08 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.221 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.69 92.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.34 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.71 ' HB3' HG23 ' A' 1095 ' ' THR . 83.4 mt -57.51 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.633 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.548 ' HA ' HG22 ' A' 1200 ' ' VAL . 0.0 OUTLIER -64.07 -36.15 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.47 -178.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -61.69 -33.7 74.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.624 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 15.1 t -76.61 -49.54 16.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.5 . . . . 0.0 109.873 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' 1197 ' ' ASN . 24.2 m -68.46 -23.16 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.356 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 14.5 t -77.53 -24.19 50.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.78 0.324 . . . . 0.0 110.375 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 87.1 m -78.88 -6.09 55.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.469 HD11 HD23 ' A' 1091 ' ' LEU . 91.4 mt -62.73 130.57 93.84 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 51.7 Cg_exo -55.04 145.99 60.78 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.134 2.556 . . . . 0.0 112.696 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -56.83 -39.27 87.53 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -139.88 -77.57 0.32 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.925 0.869 . . . . 0.0 108.935 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 113.698 -1.592 . . . . 0.0 109.187 175.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' 1041 ' ' ILE . 3.9 mp -100.48 -50.32 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.746 0.308 . . . . 0.0 110.994 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.631 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 23.3 t70 -130.65 -54.23 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 42.0 Cg_exo -57.72 95.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.159 1.906 . . . . 0.0 113.133 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 34.7 t80 -143.41 28.17 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.778 0.799 . . . . 0.0 109.444 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 11.9 p -93.07 2.35 56.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.997 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -62.08 -60.34 8.15 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.633 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -65.05 164.36 25.3 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.506 2.138 . . . . 0.0 112.142 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.22 106.67 12.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.903 0.382 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.89 -39.97 69.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.036 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.566 ' HE3' ' HB1' ' A' 1117 ' ' ALA . 53.7 mtt -63.37 -45.81 89.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.3 -38.63 81.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.643 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 36.0 m -69.58 -35.18 75.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.862 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.33 -35.03 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.412 HD13 ' HB ' ' A' 1166 ' ' ILE . 36.2 tp -57.4 -42.5 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.662 178.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 42.1 m -58.62 -41.18 85.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.588 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.473 ' O ' ' HG ' ' A' 1060 ' ' LEU . 51.0 t -65.34 -47.75 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.712 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1053 ' ' ALA . 70.9 t -58.38 -47.13 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.428 -178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.691 0.282 . . . . 0.0 111.45 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . 0.539 ' HA ' ' HD3' ' A' 1062 ' ' LYS . 16.4 m-80 -76.3 -28.52 57.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.689 0.28 . . . . 0.0 111.188 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' 1064 ' ' LEU . 95.9 mt -64.56 -47.01 80.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.606 ' HB3' HD11 ' A' 1159 ' ' LEU . 14.9 pt-20 -69.76 -29.3 66.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 110.856 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' 1059 ' ' ASN . 46.6 mtpt -57.75 -43.87 85.7 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.126 0.489 . . . . 0.0 110.319 173.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.477 ' O ' HG13 ' A' 1067 ' ' ILE . 29.5 t70 -64.69 -43.74 92.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.439 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.834 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.2 mt -64.47 -33.96 77.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.389 -175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' 1068 ' ' LYS . 54.8 mt-30 -64.58 -39.66 94.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.765 0.317 . . . . 0.0 110.754 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.64 -32.66 71.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.07 0.462 . . . . 0.0 110.25 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' 1063 ' ' ASP . 75.3 mt -70.32 -44.52 77.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.629 177.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' 1065 ' ' GLN . 19.1 pttp -70.3 -28.72 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.359 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.273 0.558 . . . . 0.0 110.196 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -71.21 -33.51 69.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.272 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.43 -35.02 75.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.532 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -53.2 56.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.534 174.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.07 -40.45 82.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 117.43 16.09 6.19 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.158 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -86.94 -71.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.637 0.256 . . . . 0.0 110.882 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.493 HD12 ' NE2' ' A' 1148 ' ' GLN . 8.7 mt 51.55 -174.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.814 -173.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.94 92.27 38.42 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.285 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.52 21.87 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 123.061 2.507 . . . . 0.0 113.451 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.483 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 8.0 mp -77.48 109.78 10.56 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 5.5 Cg_endo -87.42 134.4 3.43 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.161 2.574 . . . . 0.0 112.873 -175.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -98.85 -31.23 6.39 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 174.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -166.11 174.39 9.36 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.311 -0.444 . . . . 0.0 109.95 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . 0.582 ' HB ' ' OE1' ' A' 1085 ' ' GLU . 25.5 p -70.32 163.92 25.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 111.829 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 50.4 ttm -63.45 -43.1 98.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.793 -174.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.582 ' OE1' ' HB ' ' A' 1083 ' ' THR . 1.5 pm0 -63.92 -27.13 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 111.127 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . 0.52 ' NZ ' ' HB3' ' A' 1086 ' ' LYS . 7.8 mtpm? -79.89 -41.98 25.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 0.0 110.293 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 8.6 t -67.15 -35.43 79.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.976 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 27.9 p -69.56 -30.08 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -71.3 -45.05 63.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.711 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.94 -34.42 76.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.091 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.847 HD23 HD11 ' A' 1203 ' ' LEU . 26.1 tp -60.84 -53.0 62.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.253 175.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -66.9 -31.15 77.33 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.555 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -65.55 -45.08 84.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.322 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 15.7 m -65.53 -33.49 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.221 0.534 . . . . 0.0 109.839 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.716 HG23 ' HB3' ' A' 1196 ' ' LEU . 51.6 m -57.77 -51.67 68.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.814 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -60.12 -36.38 77.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.248 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.21 40.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.608 HG23 ' HA ' ' A' 1124 ' ' VAL . 14.6 p -73.04 -23.79 20.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.271 -177.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 47.6 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.73 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 25.1 m -72.21 -35.91 69.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.172 0.51 . . . . 0.0 110.14 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.55 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.793 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' 1098 ' ' VAL . 14.2 pt -61.74 -36.99 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.352 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.69 90.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.981 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.8 -22.57 56.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.758 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.461 HD21 HG12 ' A' 1166 ' ' ILE . 41.4 tp -57.28 -25.45 59.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 122.489 0.316 . . . . 0.0 111.327 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1185 ' ' LEU . 10.3 mp -69.64 -4.9 21.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.377 177.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 81.95 35.64 20.98 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -167.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 13.7 tp10 72.82 -71.22 0.14 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.051 -1.074 . . . . 0.0 109.569 -170.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 23.8 mm -145.94 -49.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.167 174.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -77.85 145.6 36.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.013 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' 1111 ' ' GLN . 21.2 mt-30 -65.07 121.24 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.882 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -172.72 105.44 0.21 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.064 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.89 71.56 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.494 0.664 . . . . 0.0 109.727 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -102.1 -166.76 1.32 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.207 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.461 ' O ' HG13 ' A' 1119 ' ' ILE . 17.9 m120 -63.84 -36.97 85.66 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 110.212 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -58.0 -51.72 68.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.413 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.566 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -62.81 -36.26 82.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.831 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -63.62 -48.39 77.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.013 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' 1115 ' ' ASN . 93.7 mt -59.29 -41.53 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.38 93.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.271 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.469 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -66.48 -26.88 67.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' 1122 ' ' ARG . 52.5 mtp85 -77.83 -44.35 27.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.087 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.6 -38.02 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.904 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.744 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.4 m -60.41 -46.56 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.83 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.29 95.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.69 0.281 . . . . 0.0 110.525 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.84 -41.24 98.88 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.184 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . 0.493 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -67.45 -44.1 84.95 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.295 177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' 1124 ' ' VAL . 78.8 mt -66.48 -41.73 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -65.47 -35.6 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.967 0.413 . . . . 0.0 110.363 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 19.3 m -74.86 -37.4 62.22 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.909 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.407 HD22 HD12 ' A' 1091 ' ' LEU . 1.0 OUTLIER -58.29 -49.95 75.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.353 175.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.834 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.25 -51.32 68.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.64 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.86 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 70.7 mt-30 -66.53 -34.32 77.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.893 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.27 77.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 0.0 110.78 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -65.97 -39.02 90.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.86 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 45.2 mtp180 -57.38 -46.65 83.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.475 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -56.94 -48.51 78.48 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.011 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.9 t -57.5 -46.17 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.48 87.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.878 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.73 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.587 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1137 ' ' GLY . 86.7 mt -76.42 -35.43 58.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.366 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' 1148 ' ' GLN . 10.6 t -77.5 143.01 38.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.074 0.464 . . . . 0.0 110.44 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 14.3 m -103.53 17.84 23.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.476 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' 1148 ' ' GLN . 49.9 m-20 -108.17 108.69 61.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.54 -177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.74 67.62 2.3 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.897 2.398 . . . . 0.0 112.361 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -165.42 -48.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.062 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1151 ' ' VAL . 27.3 m -78.85 -22.1 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.643 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.629 ' HG3' ' O ' ' A' 1144 ' ' ASP . 43.8 mt-30 -62.08 -47.07 86.29 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.63 -30.66 64.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.776 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.75 -38.88 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.421 -176.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' 1135 ' ' ALA . 2.7 p -69.75 -34.67 61.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.078 0.466 . . . . 0.0 110.63 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.6 mt -76.22 -40.93 50.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 110.189 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.51 -48.5 81.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.893 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.422 ' O ' HG23 ' A' 1158 ' ' VAL . 13.8 p -64.0 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.815 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.61 89.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 110.504 174.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' 1159 ' ' LEU . 63.7 m -64.24 -35.26 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.762 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' 1161 ' ' LYS . 15.7 t70 -66.46 -31.37 72.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.964 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1154 ' ' THR . 94.5 t -61.99 -56.68 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.234 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' 1061 ' ' GLU . 1.6 pt? -78.12 -29.51 48.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.461 -173.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.507 ' OD2' ' HA ' ' A' 1157 ' ' ASP . 0.0 OUTLIER -67.0 -31.61 72.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.955 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.551 ' HD3' ' O ' ' A' 1157 ' ' ASP . 13.1 mptt -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 173.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' 1165 ' ' LEU . . . -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.106 0.479 . . . . 0.0 110.676 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 42.7 t -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.721 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' 1168 ' ' GLU . 21.8 m -70.12 -19.96 63.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.651 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' 1162 ' ' ALA . 48.0 tp -71.91 -45.85 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 172.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.461 HG12 HD21 ' A' 1105 ' ' LEU . 52.3 mt -65.3 -42.72 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.166 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1170 ' ' LYS . 44.7 mt-10 -67.37 -36.47 81.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' 1164 ' ' SER . 8.4 tp10 -60.56 -38.47 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.94 77.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.767 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' 1167 ' ' GLU . 19.8 mmmt -56.98 -46.0 82.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.648 174.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -72.89 -38.44 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.12 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -56.84 -37.38 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 42.2 m -63.65 -15.95 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.516 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -81.92 -2.84 90.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.927 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.584 ' HB3' ' HB2' ' A' 1178 ' ' ASP . 75.4 m-70 -110.93 140.05 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -83.38 44.01 1.55 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.82 2.347 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 91.03 64.33 1.19 Allowed Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -175.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.584 ' HB2' ' HB3' ' A' 1175 ' ' HIS . 15.0 t70 -95.77 125.93 47.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.515 0.198 . . . . 0.0 110.718 -173.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.486 ' O ' ' HG2' ' A' 1183 ' ' GLN . 11.4 Cg_endo -54.67 -47.29 27.54 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.136 2.558 . . . . 0.0 112.693 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.2 -38.01 75.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.747 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 18.4 t -60.08 -43.39 95.53 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' 1178 ' ' ASP . 54.8 mt-30 -62.28 -43.42 98.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.502 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' 1187 ' ' GLN . 29.7 mm-40 -63.4 -46.31 87.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -64.01 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.883 ' HG ' ' HG ' ' A' 1106 ' ' LEU . 30.7 tp -61.96 -38.35 88.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.912 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . 0.727 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -72.46 -39.32 67.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.327 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' 1183 ' ' GLN . 27.1 mt-30 -61.79 -45.72 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.235 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.423 HG13 HD13 ' A' 1165 ' ' LEU . 14.8 p -69.55 -30.86 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' 1106 ' ' LEU . . . -65.51 -44.52 86.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.935 0.398 . . . . 0.0 110.215 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' 1194 ' ' GLN . 9.5 mtmp? -64.27 -30.49 71.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.65 74.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1188 ' ' VAL . 25.4 t -66.94 -44.01 88.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.853 176.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . 0.505 ' HA ' HD12 ' A' 1196 ' ' LEU . 17.0 m -59.24 -40.58 86.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' 1190 ' ' LYS . 70.2 mm-40 -67.85 -40.69 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.272 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.06 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.716 ' HB3' HG23 ' A' 1095 ' ' THR . 78.0 mt -55.28 -52.09 64.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.859 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.503 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.3 t30 -65.99 -36.66 83.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.378 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -60.08 -35.15 74.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.699 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 31.0 t -74.71 -51.6 13.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 109.872 -177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.503 HG22 ' HA ' ' A' 1197 ' ' ASN . 25.6 m -66.32 -21.68 29.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.495 -178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 25.7 t -77.28 -37.61 52.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.564 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 82.0 m -82.4 -2.28 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.167 -177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.847 HD11 HD23 ' A' 1091 ' ' LEU . 79.2 mt -62.98 128.84 92.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.348 175.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . 0.745 ' HB2' HE22 ' A' 1206 ' ' GLN . 25.8 Cg_endo -62.95 103.67 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 111.063 176.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -95.01 76.2 0.9 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.52 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.745 HE22 ' HB2' ' A' 1204 ' ' PRO . 2.3 mp0 -72.3 120.63 18.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 . . . . . 0 C--O 1.251 1.184 0 O-C-N 123.843 0.714 . . . . 0.0 111.255 179.173 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 47.5 mm 62.95 86.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.359 0.599 . . . . 0.0 111.074 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.53 ' H ' ' HD2' ' A' 1043 ' ' PRO . 2.8 m-20 -95.23 -55.21 0.22 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.675 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' A' 1042 ' ' ASP . 19.6 Cg_endo -62.15 107.98 0.62 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 27.5 p90 -90.94 45.01 1.22 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.475 0.655 . . . . 0.0 110.512 -175.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 55.3 p -80.61 54.45 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.797 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 156.18 121.37 0.71 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.437 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.63 -18.36 48.31 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.792 2.328 . . . . 0.0 112.143 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 90.7 mt -88.16 100.45 12.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.988 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' 1049 ' ' GLU . 0.7 OUTLIER -68.03 -17.91 64.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 173.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.69 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 60.1 mtt -47.23 -38.42 12.2 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.331 170.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.76 -46.06 81.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.377 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 5.4 m -60.64 -46.23 91.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1057 ' ' VAL . . . -68.62 -41.13 79.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.682 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' 1166 ' ' ILE . 66.4 tp -56.95 -42.62 80.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.68 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 35.4 t -58.12 -43.57 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.269 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.436 ' O ' ' HG ' ' A' 1060 ' ' LEU . 64.3 t -64.22 -48.29 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.855 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1053 ' ' ALA . 65.1 t -57.19 -44.95 84.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.151 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' 1062 ' ' LYS . 76.4 mt-30 -60.4 -34.66 74.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.219 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -75.28 -22.89 57.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.964 0.411 . . . . 0.0 110.606 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' 1064 ' ' LEU . 96.1 mt -76.5 -54.99 5.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.464 ' HB3' ' HB2' ' A' 1159 ' ' LEU . 0.5 OUTLIER -56.57 -41.01 76.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -178.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' 1065 ' ' GLN . 51.0 mttm -74.48 -24.35 59.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -176.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' 1067 ' ' ILE . 23.9 t0 -71.76 -40.25 69.46 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' 1060 ' ' LEU . 18.9 mt -69.13 -35.87 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.705 -176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' 1062 ' ' LYS . 10.9 pt20 -65.42 -33.85 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.534 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.36 -44.0 96.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' 1064 ' ' LEU . 33.3 mt -65.06 -37.97 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.004 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.665 ' HE2' ' HA ' ' A' 1153 ' ' ASP . 32.8 ttmt -57.65 -47.19 82.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.162 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.3 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.9 94.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.992 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' 1148 ' ' GLN . . . -72.02 -30.39 65.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.246 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.075 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . 0.446 ' OD1' ' HE2' ' A' 1075 ' ' LYS . 12.8 t70 -75.99 -63.51 1.3 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.358 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 142.1 34.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1073 ' ' ASP . 75.1 mmtt -104.6 1.04 29.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.706 0.289 . . . . 0.0 110.643 -176.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1071 ' ' ALA . 21.9 tp -75.68 130.67 39.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -175.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.434 ' O ' ' HB1' ' A' 1140 ' ' ALA . 70.9 mmtt -75.74 115.78 49.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.532 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.541 ' HA ' ' HB1' ' A' 1140 ' ' ALA . 3.8 Cg_exo -71.23 -73.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.075 1.85 . . . . 0.0 111.213 -178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 55.3 mt 66.57 149.2 0.12 Allowed Pre-proline 0 CA--C 1.534 0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 112.364 174.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -82.86 44.24 1.64 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.958 2.439 . . . . 0.0 111.963 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -79.89 79.06 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.855 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 68.99 -174.33 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.064 0.545 . . . . 0.0 111.881 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 30.4 p -94.11 157.6 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . 0.419 ' HE1' ' HB ' ' A' 1142 ' ' THR . 46.1 ttm -72.77 -29.42 63.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -55.02 -47.61 74.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.572 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -63.62 -43.68 96.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.604 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 67.3 m -64.39 -44.18 92.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.406 -177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 30.5 p -69.34 -32.58 71.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.441 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -70.3 -47.02 63.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.171 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.52 -38.91 89.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.413 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.868 HD23 HD11 ' A' 1203 ' ' LEU . 15.2 tp -60.59 -52.56 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.746 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -57.5 -40.97 93.14 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.75 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.31 -46.41 73.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.434 ' O ' HG12 ' A' 1098 ' ' VAL . 57.6 m -59.93 -34.94 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.916 HG23 ' HB3' ' A' 1196 ' ' LEU . 87.6 m -56.65 -52.07 66.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.708 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 63.2 mttm -64.51 -36.62 84.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.72 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -59.29 -53.8 54.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.502 HG21 HD21 ' A' 1128 ' ' LEU . 7.5 p -73.46 -24.7 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.084 -178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 66.3 m -63.96 -36.63 84.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.164 0.506 . . . . 0.0 110.26 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 19.7 m -70.99 -25.59 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.953 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.29 23.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.697 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 24.6 pt -64.45 -25.54 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.243 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.54 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.947 0.403 . . . . 0.0 110.523 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 80.1 mttt -75.84 -34.73 60.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.137 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 72.4 mt -72.55 -26.81 61.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.54 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' 1186 ' ' ALA . 38.0 tp -66.74 -35.57 80.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.717 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 163.35 -175.25 39.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.756 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.72 133.76 36.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' 1109 ' ' ILE . 3.6 mp -80.28 -57.83 4.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -134.37 -12.97 2.38 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.942 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -153.61 145.24 23.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.496 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -139.01 -65.01 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.496 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' 1115 ' ' ASN . 4.7 m-20 60.41 26.24 15.81 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 122.754 0.422 . . . . 0.0 110.825 176.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 68.5 -37.29 0.35 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.768 0.827 . . . . 0.0 111.883 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' 1119 ' ' ILE . 5.3 t-20 -53.75 -36.54 62.44 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.211 0.604 . . . . 0.0 111.922 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.23 -32.09 68.0 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.926 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.664 ' HB1' ' HE3' ' A' 1050 ' ' MET . . . -61.46 -39.46 90.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.525 . . . . 0.0 110.237 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.404 ' HA3' ' CD ' ' A' 1049 ' ' GLU . . . -79.91 -34.43 30.65 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' 1115 ' ' ASN . 74.2 mt -60.45 -49.41 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.509 . . . . 0.0 109.953 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.728 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -67.98 -32.56 73.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.396 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.6 -37.37 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.141 0.496 . . . . 0.0 110.706 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.25 -26.12 42.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.267 0.556 . . . . 0.0 109.893 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -75.52 -44.66 42.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.952 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.716 ' O ' ' HG ' ' A' 1128 ' ' LEU . 18.3 m -61.59 -41.73 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.751 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -54.68 -43.12 72.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -64.3 -47.27 86.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.161 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.08 94.17 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.35 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' 1124 ' ' VAL . 73.0 mt -71.04 -34.6 71.41 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' 1125 ' ' ALA . 36.9 mtm180 -61.75 -53.03 61.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.6 m -59.36 -39.55 83.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.703 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.431 HD22 HD12 ' A' 1091 ' ' LEU . 1.2 tm? -58.57 -53.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.994 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -57.55 -53.41 58.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.248 -176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.767 ' HA ' ' HD3' ' A' 1136 ' ' ARG . 15.5 mm100 -64.66 -34.54 78.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.03 85.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' 1151 ' ' VAL . . . -67.36 -36.93 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.767 ' HD3' ' HA ' ' A' 1133 ' ' GLN . 19.9 mtp180 -59.41 -44.53 92.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.461 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.63 -47.53 90.7 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.875 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 76.5 t -54.23 -46.22 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.734 0.302 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' 1148 ' ' GLN . . . -62.38 -45.48 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.061 -177.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' 1078 ' ' PRO . . . -73.49 -27.2 61.26 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.348 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1137 ' ' GLY . 96.9 mt -75.36 -41.99 55.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.566 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.597 HG21 HG12 ' A' 1147 ' ' VAL . 9.7 t -70.21 147.33 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 110.724 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 6.3 p -98.47 -0.08 44.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.051 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' 1148 ' ' GLN . 16.8 t70 -83.54 114.35 52.93 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -77.6 65.46 8.1 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.581 2.187 . . . . 0.0 111.693 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -174.01 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.962 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.597 HG12 HG21 ' A' 1142 ' ' THR . 2.2 t -59.44 -36.19 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.077 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.653 ' O ' ' HG ' ' A' 1152 ' ' LEU . 79.5 mt-30 -52.43 -46.76 66.51 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.799 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.95 -34.77 62.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -40.43 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.631 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' 1135 ' ' ALA . 3.3 p -70.38 -33.46 54.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' 1148 ' ' GLN . 43.0 mt -78.37 -41.05 34.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.235 0.54 . . . . 0.0 110.389 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . 0.665 ' HA ' ' HE2' ' A' 1068 ' ' LYS . 30.3 t70 -61.23 -42.08 97.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.881 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.544 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 17.5 p -68.54 -41.71 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.044 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.96 94.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.747 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -68.85 -30.3 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.936 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.25 -40.17 93.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' 1154 ' ' THR . 97.9 t -59.31 -46.75 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.097 0.475 . . . . 0.0 110.388 174.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' 1061 ' ' GLU . 12.1 mt -71.07 -31.58 68.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.81 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.87 -40.98 73.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.522 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.418 ' HB3' HG22 ' A' 1192 ' ' VAL . 5.5 mptp? -79.8 -39.35 31.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.641 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -61.14 -46.12 91.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.448 -178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 47.7 m -59.7 -44.78 93.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.014 0.435 . . . . 0.0 110.167 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 1168 ' ' GLU . 16.5 m -69.95 -25.25 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.231 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.11 -49.62 66.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.583 ' HB ' HD13 ' A' 1054 ' ' LEU . 63.9 mt -67.99 -42.27 85.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.583 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.69 -38.02 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.187 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' 1164 ' ' SER . 6.1 tp10 -57.39 -47.22 82.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . 0.609 ' HB2' HD11 ' A' 1185 ' ' LEU . . . -67.41 -33.63 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.62 -41.69 91.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.79 -43.36 75.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.416 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -61.74 -31.34 71.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 46.5 t -62.96 -20.09 64.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -85.67 -3.35 86.24 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.149 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.469 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 74.9 m-70 -99.37 135.63 20.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 6.1 Cg_exo -79.69 35.18 0.55 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.595 2.863 . . . . 0.0 112.379 -178.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 104.27 91.86 2.23 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -176.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -134.64 119.04 13.76 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -174.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.615 ' O ' ' HG2' ' A' 1182 ' ' GLN . 36.3 Cg_endo -65.23 -29.58 55.23 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.999 2.466 . . . . 0.0 112.902 -177.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.99 -35.02 62.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.076 0.465 . . . . 0.0 110.367 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 29.9 m -64.25 -40.35 95.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.128 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' 1179 ' ' PRO . 3.8 pt20 -70.95 -24.06 62.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.685 0.279 . . . . 0.0 110.504 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' 1179 ' ' PRO . 99.3 mt-30 -67.38 -34.81 78.06 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 109.755 176.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -63.49 -41.48 98.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' 1169 ' ' ALA . 4.0 mm? -60.95 -42.33 98.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' 1106 ' ' LEU . . . -60.13 -42.01 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.225 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.5 -51.27 61.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.381 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' 1192 ' ' VAL . 12.0 p -71.87 -33.69 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.626 -175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 92.99 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 110.609 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' 1194 ' ' GLN . 97.3 mttt -70.07 -34.48 73.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.15 82.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1188 ' ' VAL . 49.8 t -61.41 -45.6 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.853 175.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 29.1 m -60.45 -38.98 85.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' 1190 ' ' LYS . 30.1 mm-40 -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.497 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' 1198 ' ' ARG . . . -60.93 -41.72 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.916 ' HB3' HG23 ' A' 1095 ' ' THR . 76.7 mt -62.34 -47.91 82.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.688 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.08 -32.21 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 109.701 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' 1195 ' ' ALA . 34.7 ttm180 -63.32 -32.93 74.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.398 176.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . 0.544 ' SG ' ' HB ' ' A' 1154 ' ' THR . 91.4 m -73.29 -51.94 15.72 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.541 -177.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' A' 1203 ' ' LEU . 24.4 m -69.53 -21.96 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.244 -177.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.1 t -73.07 -42.78 62.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.625 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 29.0 p -80.4 -4.85 55.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.791 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.868 HD11 HD23 ' A' 1091 ' ' LEU . 97.2 mt -64.97 134.05 95.95 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.688 178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.04 58.56 4.96 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.108 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -89.56 41.61 3.0 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.505 ' HG3' ' HG3' ' A' 1207 ' ' ARG . 4.0 pt20 -90.5 179.23 5.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.613 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.505 ' HG3' ' HG3' ' A' 1206 ' ' GLN . 92.3 mtt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.502 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.676 -0.169 . . . . 0.0 112.676 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 27.7 mt -91.91 -20.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.282 0.563 . . . . 0.0 109.627 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' 1043 ' ' PRO . 4.9 m-20 -58.27 137.74 84.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.305 -178.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1042 ' ' ASP . 23.3 Cg_exo -64.16 106.38 0.67 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.32 2.014 . . . . 0.0 110.134 171.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 65.5 t80 -114.77 -21.64 10.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 -172.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 42.0 p 46.31 47.86 13.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.68 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -148.33 90.16 0.14 Allowed Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.422 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.89 -39.27 31.87 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.527 2.818 . . . . 0.0 113.419 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 93.4 mt -120.52 115.32 23.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.33 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.583 ' HB2' ' HA2' ' A' 1118 ' ' GLY . 19.1 mm-40 -57.42 -29.3 64.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.251 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . . . . . . . . . 55.3 mtt -65.83 -34.83 79.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.89 -40.5 63.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.765 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 9.0 p -69.66 -40.05 76.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.483 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.506 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.491 ' HA ' HG12 ' A' 1057 ' ' VAL . 47.7 tp -61.0 -41.67 96.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.351 176.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 22.2 t -60.52 -43.19 97.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' 1060 ' ' LEU . 97.9 t -62.52 -52.08 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.088 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' 1054 ' ' LEU . 7.5 p -64.73 -33.59 64.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -175.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 42.6 mt-30 -67.27 -33.73 75.94 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.903 0.383 . . . . 0.0 110.772 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -71.95 -29.77 64.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.865 0.364 . . . . 0.0 110.555 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 1056 ' ' VAL . 87.8 mt -72.21 -48.68 41.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.743 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.791 ' HB3' HD13 ' A' 1159 ' ' LEU . 9.3 pt-20 -61.88 -46.68 88.35 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.957 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.91 -41.36 78.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.756 0.313 . . . . 0.0 111.257 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.5 -47.96 76.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.288 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.734 HD12 HD21 ' A' 1159 ' ' LEU . 31.4 mt -67.57 -29.43 68.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 -177.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.9 mt-30 -61.76 -38.03 86.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 110.077 175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.05 -44.89 36.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.399 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.66 HD12 HD23 ' A' 1064 ' ' LEU . 96.5 mt -59.64 -38.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.431 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.467 ' HA ' HD12 ' A' 1152 ' ' LEU . 38.2 ttpt -65.93 -41.5 91.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.604 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.77 88.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.507 . . . . 0.0 109.968 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.83 78.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.675 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.422 ' HA ' ' HG ' ' A' 1076 ' ' LEU . . . -63.62 -41.73 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.997 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' 1072 ' ' ARG . 0.0 OUTLIER -65.07 -40.57 94.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.485 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -80.77 -26.73 37.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 111.554 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 99.05 31.78 6.11 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.263 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.98 13.9 31.74 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.449 ' O ' ' HD3' ' A' 1078 ' ' PRO . 80.1 mt -70.7 169.58 14.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 175.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -102.63 96.61 7.73 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' 1076 ' ' LEU . 4.2 Cg_endo -84.17 27.17 0.62 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.064 2.509 . . . . 0.0 112.77 -172.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' 1080 ' ' PRO . 8.5 mp -78.2 111.25 17.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1079 ' ' LEU . 1.5 Cg_endo -84.36 50.46 3.03 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.614 2.876 . . . . 0.0 112.552 -175.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . -61.8 -55.58 27.63 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -94.61 136.03 35.39 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 172.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 25.4 p -81.43 155.82 25.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.118 0.485 . . . . 0.0 111.884 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 53.2 ttm -58.62 -30.54 67.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.015 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.19 -43.84 71.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -72.52 -40.99 66.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' 1091 ' ' LEU . 78.9 m -60.56 -44.56 96.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . 0.4 HG22 HD13 ' A' 1203 ' ' LEU . 37.1 p -72.11 -38.53 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.46 -50.62 66.79 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.17 -27.61 63.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.171 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1203 ' ' LEU . 22.9 tp -60.99 -52.52 64.66 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -60.09 -38.76 94.83 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.044 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -63.25 -46.96 84.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.546 0.212 . . . . 0.0 110.661 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.424 ' O ' HG12 ' A' 1098 ' ' VAL . 49.8 m -63.9 -35.9 82.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.561 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' 1196 ' ' LEU . 90.4 m -55.78 -55.48 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.551 176.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.22 79.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.08 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.391 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' 1124 ' ' VAL . 8.4 p -73.11 -23.18 19.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.92 -177.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.7 m -63.52 -35.74 81.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.016 0.436 . . . . 0.0 110.437 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 22.6 t -75.31 -35.39 61.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.226 0.536 . . . . 0.0 109.766 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.404 ' HB2' ' OD2' ' A' 1123 ' ' ASP . . . -64.49 -46.69 81.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.52 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' 1106 ' ' LEU . 33.3 pt -64.95 -25.61 38.12 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.069 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.91 84.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 110.777 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -75.98 -33.16 59.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.322 0.582 . . . . 0.0 109.985 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.513 HD23 HD22 ' A' 1165 ' ' LEU . 21.2 tp -67.91 -24.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.55 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' 1102 ' ' ILE . 51.4 mt -54.6 -29.57 52.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.513 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 67.18 74.03 0.6 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 162.46 19.17 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 7.1 tp -51.68 106.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 122.012 0.911 . . . . 0.0 111.842 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -165.06 -175.97 3.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.369 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -102.63 99.15 9.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 111.415 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 94.68 -28.86 10.08 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 114.063 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 65.8 t30 61.39 42.24 11.89 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -172.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -60.76 129.94 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.178 -1.373 . . . . 0.0 112.1 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' 1119 ' ' ILE . 16.1 m120 72.78 -39.61 0.45 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.174 177.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -57.92 -36.38 72.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.35 -45.58 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.965 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' 1049 ' ' GLU . . . -76.66 -40.82 25.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' 1115 ' ' ASN . 82.3 mt -58.57 -48.99 83.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.969 0.414 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.52 78.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.461 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.13 -35.34 79.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 111.091 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -73.89 -32.58 63.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.099 0.476 . . . . 0.0 110.191 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' 1101 ' ' ALA . 23.1 t70 -78.22 -36.26 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.323 -174.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' 1128 ' ' LEU . 22.7 m -62.4 -42.81 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.245 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' 1129 ' ' ARG . . . -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.43 94.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.302 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -69.46 -37.61 79.04 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.933 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' 1124 ' ' VAL . 64.4 mt -73.94 -37.14 64.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' 1125 ' ' ALA . 10.0 ptm180 -67.08 -38.32 85.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.503 177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 14.7 m -69.51 -36.57 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.177 0.513 . . . . 0.0 109.909 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -61.38 -52.76 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.561 176.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -56.87 -45.91 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.759 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -60.44 -43.16 97.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.673 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.91 75.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.05 71.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.722 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.405 ' HA ' HD21 ' A' 1152 ' ' LEU . 33.7 ptt180 -67.83 -23.74 65.2 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.71 0.29 . . . . 0.0 110.761 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.537 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -68.25 -49.01 49.01 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 69.3 t -53.56 -45.88 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.005 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.13 93.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.102 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -74.82 -26.37 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.466 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 1137 ' ' GLY . 89.8 mt -79.89 -37.36 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.429 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.495 HG21 HG23 ' A' 1147 ' ' VAL . 9.0 t -80.56 150.19 29.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.776 0.322 . . . . 0.0 110.414 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 p -111.85 4.31 18.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' 1145 ' ' PRO . 11.2 t70 -80.2 118.93 74.79 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 7.8 Cg_exo -72.96 67.19 4.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.843 2.362 . . . . 0.0 112.048 178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . 0.413 ' HB3' ' OD2' ' A' 1144 ' ' ASP . . . -169.19 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.408 176.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' 1151 ' ' VAL . 18.8 m -66.02 -28.3 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.239 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.59 ' O ' ' HG ' ' A' 1152 ' ' LEU . 48.9 mt-30 -54.18 -52.11 62.23 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.335 0.588 . . . . 0.0 110.463 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -75.59 -34.15 60.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.564 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -38.43 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' 1147 ' ' VAL . 5.1 p -69.79 -36.12 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 0.0 110.494 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.8 mt -76.71 -42.69 40.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.086 0.47 . . . . 0.0 110.221 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.94 -41.76 83.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.411 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.546 ' O ' HG23 ' A' 1158 ' ' VAL . 4.6 p -70.74 -44.94 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.243 -0.183 . . . . 0.0 111.019 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.08 96.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.195 0.521 . . . . 0.0 110.856 177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 19.0 t -66.48 -37.19 84.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.902 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.1 -34.77 78.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 110.357 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 1154 ' ' THR . 93.5 t -57.85 -62.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.623 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.791 HD13 ' HB3' ' A' 1061 ' ' GLU . 2.9 pp -67.21 -29.38 69.02 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.49 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.553 ' N ' HD12 ' A' 1159 ' ' LEU . 24.1 t70 -54.97 -47.33 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 110.451 174.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.8 mptt -77.68 -35.22 52.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -67.72 -35.5 78.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 0.0 111.61 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 10.1 t -63.8 -40.54 96.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -71.59 -30.54 65.95 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.268 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.756 ' HG ' HG13 ' A' 1188 ' ' VAL . 0.5 OUTLIER -61.61 -48.55 80.39 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.89 -48.69 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.968 175.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.682 ' HB3' ' HE2' ' A' 1171 ' ' LYS . 10.8 mm-40 -65.46 -52.3 54.06 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.803 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.42 -34.27 64.28 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 123.417 0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' 1185 ' ' LEU . . . -56.64 -53.33 58.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.174 178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . 0.406 ' HB2' ' HZ2' ' A' 1170 ' ' LYS . 10.6 mtmp? -70.65 -24.69 62.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.192 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.682 ' HE2' ' HB3' ' A' 1167 ' ' GLU . 64.2 mttm -77.66 -45.94 23.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.484 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' 1181 ' ' SER . . . -64.7 -58.38 6.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.108 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 53.8 p -74.87 105.32 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 145.1 -9.14 1.74 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.556 -176.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' 1176 ' ' PRO . 97.4 m-70 -75.74 161.81 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' 1175 ' ' HIS . 55.5 Cg_endo -67.17 86.99 0.31 Allowed 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.372 2.048 . . . . 0.0 111.236 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 74.67 97.85 0.1 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.438 ' HB2' ' HB2' ' A' 1181 ' ' SER . 0.9 OUTLIER -115.38 84.75 12.15 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -174.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.31 -18.97 15.6 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.064 1.843 . . . . 0.0 109.96 169.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.38 -14.19 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.445 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . 0.872 ' HA ' ' HB1' ' A' 1172 ' ' ALA . 44.9 t -58.21 -50.8 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.319 -174.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.65 -28.94 67.33 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.111 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' 1187 ' ' GLN . 4.7 tt0 -72.13 -49.2 37.86 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-O 120.786 0.327 . . . . 0.0 110.277 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' 1184 ' ' ARG . 2.8 mmp_? -52.05 -47.79 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.984 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.706 HD21 ' HA ' ' A' 1169 ' ' ALA . 46.6 mt -70.38 -40.68 73.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.955 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . 0.485 ' HA ' HD22 ' A' 1106 ' ' LEU . . . -60.65 -35.11 75.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.628 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.9 mt-30 -73.46 -50.15 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.756 HG13 ' HG ' ' A' 1165 ' ' LEU . 8.4 p -69.58 -32.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.549 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.586 ' CB ' HD21 ' A' 1106 ' ' LEU . . . -62.66 -40.77 98.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.26 -31.77 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.838 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.9 96.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.05 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.589 HG21 HD12 ' A' 1165 ' ' LEU . 52.5 t -64.0 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.942 174.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 26.0 m -57.81 -45.38 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -69.69 -38.7 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.726 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.918 ' HB3' HG23 ' A' 1095 ' ' THR . 59.6 mt -58.11 -49.55 76.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.374 0.607 . . . . 0.0 110.476 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.919 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.54 -28.85 65.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 12.8 t -73.16 -47.02 47.4 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.4 m -71.31 -22.7 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.389 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 35.3 t -77.63 -35.94 52.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.038 0.447 . . . . 0.0 110.82 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 86.3 m -86.06 -0.94 56.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.636 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1091 ' ' LEU . 65.0 mt -56.98 120.37 37.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.425 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . 0.435 ' HB3' HG11 ' A' 1147 ' ' VAL . 60.5 Cg_endo -75.13 139.85 24.44 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.768 2.312 . . . . 0.0 112.013 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -86.35 62.69 4.27 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.587 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 7.2 tp60 63.79 92.77 0.06 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.274 0.559 . . . . 0.0 110.747 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.426 ' NH2' HG13 ' A' 1147 ' ' VAL . 8.5 mtm180 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.81 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . 0.476 ' O ' HD13 ' A' 1041 ' ' ILE . 0.2 OUTLIER -75.35 -33.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.283 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.788 ' HB3' ' HD3' ' A' 1043 ' ' PRO . 18.9 t70 -92.41 -59.05 0.22 Allowed Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.117 175.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' 1042 ' ' ASP . 4.9 Cg_exo -80.12 103.35 1.53 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.263 1.976 . . . . 0.0 111.358 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -156.57 75.74 0.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . 0.482 ' HA ' ' CD1' ' A' 1048 ' ' LEU . 12.9 p -120.74 -21.1 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 177.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -57.51 -62.26 6.54 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.812 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.23 24.86 0.59 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.093 2.528 . . . . 0.0 113.321 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' 1051 ' ' ASP . 21.6 mt -84.59 26.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.26 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.37 -27.81 67.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.74 0.781 . . . . 0.0 109.409 175.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.692 ' HB3' HG23 ' A' 1166 ' ' ILE . 62.3 mtt -78.11 -30.64 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.742 176.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . 0.541 ' HB2' HD22 ' A' 1048 ' ' LEU . 20.8 t70 -60.42 -41.38 93.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.393 -172.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 19.5 m -58.81 -39.57 81.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.067 0.461 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 1125 ' ' ALA . . . -76.09 -37.29 58.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.141 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.476 ' HB2' HG21 ' A' 1166 ' ' ILE . 64.3 tp -58.5 -40.6 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.784 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 41.6 t -56.95 -44.73 82.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.513 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 48.5 t -61.73 -46.99 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.341 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.581 HG13 HD12 ' A' 1159 ' ' LEU . 86.2 t -55.7 -49.1 76.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.059 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.8 -34.65 65.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.743 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.25 -45.74 31.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.637 0.256 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' 1064 ' ' LEU . 93.8 mt -57.91 -47.3 83.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.505 -177.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' 1065 ' ' GLN . 8.1 pt-20 -61.71 -44.37 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.852 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.497 ' HA ' ' OE1' ' A' 1065 ' ' GLN . 65.1 mttp -64.72 -36.31 83.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' 1067 ' ' ILE . 30.5 t70 -60.4 -48.81 80.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.333 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' 1060 ' ' LEU . 17.1 mt -66.93 -25.44 66.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1061 ' ' GLU . 56.0 mt-30 -67.55 -35.82 79.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.046 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.07 -39.24 60.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.153 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1063 ' ' ASP . 59.0 mt -66.26 -33.26 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.313 178.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . 0.592 ' HA ' HD12 ' A' 1152 ' ' LEU . 39.9 ttpt -65.18 -36.05 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.145 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' 1072 ' ' ARG . . . -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.031 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' 1075 ' ' LYS . . . -60.42 -29.45 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.241 176.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.89 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' 1069 ' ' ALA . 0.0 OUTLIER -67.08 -36.48 82.09 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -178.474 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -78.18 -17.52 56.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.167 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 77.13 38.33 30.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.542 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1070 ' ' ALA . 98.8 mttt -95.62 -6.7 39.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' 1076 ' ' LEU . 38.7 mt -70.99 117.14 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.533 . . . . 0.0 111.213 -176.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.84 ' HB2' HD13 ' A' 1079 ' ' LEU . 30.9 mmmt -125.3 163.46 38.09 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.25 -0.886 . . . . 0.0 108.925 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -78.21 30.41 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.898 2.399 . . . . 0.0 112.587 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' 1077 ' ' LYS . 9.4 mp -50.95 -41.52 73.78 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.943 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -44.71 -40.99 14.7 Favored 'Trans proline' 0 C--N 1.363 1.325 0 C-N-CA 122.176 1.917 . . . . 0.0 112.744 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 80.98 -3.08 78.16 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.195 -0.526 . . . . 0.0 113.314 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -88.19 151.5 22.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.714 0.293 . . . . 0.0 110.931 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 59.6 p -76.43 156.84 32.79 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.078 177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 52.4 ttm -63.65 -26.82 68.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.147 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' A' 1207 ' ' ARG . 39.5 mm-40 -61.51 -55.78 27.33 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -65.77 -38.88 90.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.829 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 70.9 m -60.57 -51.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.282 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 32.5 p -68.05 -39.12 83.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 111.057 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -64.4 -53.13 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.868 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.72 -28.51 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 -176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.763 HD23 HD11 ' A' 1203 ' ' LEU . 12.9 tp -61.38 -50.6 72.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' 1096 ' ' LYS . . . -64.44 -40.08 97.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.158 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -64.42 -40.21 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.773 -0.251 . . . . 0.0 111.076 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . . . . . . . . . 47.5 m -64.84 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' 1196 ' ' LEU . 97.4 m -58.91 -49.39 77.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.45 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' 1092 ' ' GLY . 57.4 mttm -57.93 -42.39 84.75 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -66.1 -54.54 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.572 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.489 ' HA ' ' HB3' ' A' 1101 ' ' ALA . 13.3 p -69.73 -22.83 25.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 29.8 t -58.65 -45.48 89.24 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.25 0.548 . . . . 0.0 110.19 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 16.2 m -74.46 -29.77 61.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.049 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' 1098 ' ' VAL . . . -65.45 -50.76 64.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.465 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.54 -31.29 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.312 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.23 98.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 110.761 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -75.65 -24.3 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.17 -25.79 63.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.003 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' 1186 ' ' ALA . 8.7 mp -63.47 97.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.795 176.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -107.19 160.18 14.27 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.387 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -106.86 -45.14 4.26 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 6.9 tp -159.16 142.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.898 -175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . -96.04 86.9 4.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.09 0.471 . . . . 0.0 109.889 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -98.06 -49.17 4.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.102 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 151.56 -16.55 0.85 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.804 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -92.79 -6.18 49.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.456 0.646 . . . . 0.0 109.503 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -93.97 108.41 20.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.217 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . . . . . . . . . 13.3 m120 -86.86 -33.7 19.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.971 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -65.96 -27.72 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.277 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.88 61.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -80.37 -45.39 8.09 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.633 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -52.53 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.522 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' 1123 ' ' ASP . . . -71.39 -27.83 63.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.102 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -62.41 -40.49 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.266 0.555 . . . . 0.0 110.299 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -34.02 47.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' 1120 ' ' ALA . 27.9 t0 -65.06 -41.51 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.275 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' 1098 ' ' VAL . 24.5 m -63.9 -40.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.232 175.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 1053 ' ' ALA . . . -63.66 -36.2 83.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.48 -45.07 96.95 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.976 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . 0.404 ' HA3' ' HB ' ' A' 1098 ' ' VAL . . . -65.95 -44.11 92.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.633 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.487 ' HG ' ' CB ' ' A' 1159 ' ' LEU . 0.2 OUTLIER -61.14 -47.17 87.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' 1133 ' ' GLN . 3.9 ptm180 -65.15 -38.13 89.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.609 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 15.0 m -70.2 -35.62 74.04 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.082 0.468 . . . . 0.0 109.941 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.452 HD13 HD11 ' A' 1091 ' ' LEU . 0.6 OUTLIER -58.06 -49.18 77.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.35 176.009 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -58.63 -45.76 88.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.562 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' 1129 ' ' ARG . 20.3 mt-30 -56.49 -48.33 77.39 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.14 0.495 . . . . 0.0 110.951 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.313 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.27 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.443 ' HG2' HD13 ' A' 1067 ' ' ILE . 23.9 mtp180 -59.61 -43.44 93.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -60.35 -51.2 60.23 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.208 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.38 -48.15 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.332 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' A' 1151 ' ' VAL . . . -65.32 -36.46 84.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.703 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.88 63.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.273 0.559 . . . . 0.0 111.457 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1137 ' ' GLY . 91.5 mt -81.15 -35.71 31.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.106 -174.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.489 HG21 HG23 ' A' 1147 ' ' VAL . 10.2 t -79.41 152.72 30.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.155 177.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 42.3 p -112.0 3.92 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.924 0.392 . . . . 0.0 110.513 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' 1148 ' ' GLN . 8.0 m-20 -76.64 115.88 51.73 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.76 66.86 8.07 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.632 2.221 . . . . 0.0 112.833 -175.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.38 -54.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.503 175.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' 1151 ' ' VAL . 18.5 m -60.42 -28.63 42.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 176.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.63 ' O ' ' HG ' ' A' 1152 ' ' LEU . 77.5 mt-30 -55.38 -52.46 63.47 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-O 121.2 0.524 . . . . 0.0 110.338 176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -74.39 -31.71 62.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.774 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -40.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.752 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' 1147 ' ' VAL . 4.3 p -68.39 -36.1 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.159 0.504 . . . . 0.0 110.568 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1148 ' ' GLN . 36.1 mt -76.86 -41.12 45.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.49 -48.13 82.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.615 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.516 ' O ' HG23 ' A' 1158 ' ' VAL . 17.2 p -66.16 -43.84 85.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.947 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.22 93.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 32.2 t -64.41 -30.2 71.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.497 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.04 -32.61 61.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' 1154 ' ' THR . 76.1 t -55.0 -57.53 6.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.451 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.581 HD12 HG13 ' A' 1057 ' ' VAL . 1.7 pt? -75.76 -29.48 58.85 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.289 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.53 -39.88 77.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.15 0.5 . . . . 0.0 110.096 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.703 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.2 mptt -66.63 -47.43 72.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.205 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.59 69.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.681 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 15.1 t -62.64 -43.67 98.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 41.9 m -61.83 -34.33 75.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.636 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' 1188 ' ' VAL . 3.6 mt -58.92 -49.86 76.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.266 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' 1050 ' ' MET . 68.7 mt -64.47 -49.99 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.049 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.65 ' O ' ' HG2' ' A' 1170 ' ' LYS . 45.9 mt-10 -62.92 -48.19 80.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.487 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -68.26 -31.48 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.847 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.42 94.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.554 0.216 . . . . 0.0 111.116 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' 1167 ' ' GLU . 20.6 pttm -70.25 -25.04 63.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.059 0.457 . . . . 0.0 110.276 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.774 ' HA ' ' HE2' ' A' 1171 ' ' LYS . 9.5 mmpt? -80.76 -42.14 22.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.106 0.479 . . . . 0.0 110.01 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.46 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.209 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 56.5 p -71.5 -14.01 61.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.021 0.438 . . . . 0.0 110.729 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -80.97 -7.78 88.2 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . . . . . . . . . 66.7 m170 -88.27 155.03 51.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.29 40.7 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.911 2.407 . . . . 0.0 113.299 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 84.01 59.32 2.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.388 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.43 119.42 65.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.562 ' O ' ' HG3' ' A' 1183 ' ' GLN . 26.5 Cg_endo -62.06 -38.0 60.1 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.825 2.35 . . . . 0.0 112.731 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.15 -28.38 63.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.17 -174.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 23.3 m -63.11 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.109 0.481 . . . . 0.0 110.012 174.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -66.57 -38.28 86.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.096 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' 1179 ' ' PRO . 68.4 mt-30 -60.91 -37.38 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.859 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' 1188 ' ' VAL . 30.9 mtm-85 -67.78 -34.21 76.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.647 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.78 -40.05 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.069 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . 0.448 ' HA ' HD21 ' A' 1106 ' ' LEU . . . -64.5 -34.04 77.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.685 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' A' 1184 ' ' ARG . 52.8 mt-30 -65.78 -37.57 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.599 177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1184 ' ' ARG . 8.9 t -70.78 -46.45 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.36 74.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.81 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.19 -39.24 85.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.617 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -67.92 -43.91 78.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' 1161 ' ' LYS . 76.2 t -58.03 -41.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.982 0.42 . . . . 0.0 110.209 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 17.8 m -59.89 -38.49 82.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.704 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.3 -36.07 61.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.413 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.622 ' HB3' HG23 ' A' 1095 ' ' THR . 74.6 mt -55.43 -52.26 64.17 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.91 176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.48 ' HA ' HG22 ' A' 1200 ' ' VAL . 8.8 t30 -61.92 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.016 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -60.93 -37.11 81.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.537 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 22.8 t -76.46 -49.53 16.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' 1197 ' ' ASN . 21.0 m -66.98 -25.32 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.703 -177.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 23.3 t -77.34 -34.74 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 0.0 111.168 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 27.5 p -81.45 -1.51 46.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.727 0.298 . . . . 0.0 111.388 -176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.763 HD11 HD23 ' A' 1091 ' ' LEU . 81.1 mt -63.83 132.41 95.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.01 93.24 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.295 1.997 . . . . 0.0 111.592 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -69.96 -27.62 72.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.518 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -81.73 115.48 20.99 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.426 ' HD3' ' OE2' ' A' 1085 ' ' GLU . 27.3 mtm180 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.732 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' 1041 ' ' ILE . 21.7 pt -105.13 103.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.274 0.559 . . . . 0.0 110.901 176.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -70.36 -49.45 16.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.504 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.583 ' HG3' ' HA ' ' A' 1176 ' ' PRO . 73.7 Cg_endo -77.28 84.85 1.88 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.467 1.445 . . . . 0.0 110.537 169.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 46.0 p90 -85.41 17.22 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.357 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . 0.463 ' HA ' ' HG3' ' A' 1114 ' ' GLU . 15.3 p -86.63 -95.0 0.09 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.705 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . 53.54 60.4 8.3 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.655 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' 1049 ' ' GLU . 55.2 Cg_endo -70.7 -36.54 8.15 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.265 1.977 . . . . 0.0 112.613 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . . . . . . . . . 87.2 mt 70.99 -36.23 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.337 0.655 . . . . 0.0 112.242 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' 1047 ' ' PRO . 33.1 tt0 -54.45 -24.9 22.06 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.278 0.631 . . . . 0.0 111.972 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 61.0 mtt -55.9 -32.71 63.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.231 177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' 1054 ' ' LEU . 18.5 t70 -68.21 -34.96 77.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.802 -177.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 8.2 t -69.72 -38.07 76.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.102 0.477 . . . . 0.0 110.002 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -67.1 -35.17 79.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.254 0.55 . . . . 0.0 109.699 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.565 HD13 ' HB ' ' A' 1166 ' ' ILE . 56.7 tp -61.43 -36.71 81.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.8 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 68.1 m -55.34 -37.78 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' 1060 ' ' LEU . 62.0 t -65.63 -45.32 92.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.005 176.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 43.1 t -63.08 -41.23 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.578 ' HA ' ' HG2' ' A' 1061 ' ' GLU . 74.2 mt-30 -58.42 -39.22 79.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.227 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -68.65 -30.96 69.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.884 0.373 . . . . 0.0 110.646 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 1056 ' ' VAL . 89.0 mt -75.25 -44.64 44.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.714 ' HB2' HD13 ' A' 1159 ' ' LEU . 7.5 pt-20 -63.34 -38.38 90.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.743 0.306 . . . . 0.0 111.258 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -71.5 -25.95 62.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 26.4 t0 -71.39 -51.28 24.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.808 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.667 HD12 HD23 ' A' 1159 ' ' LEU . 15.7 mt -67.51 -27.85 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.332 -173.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -67.2 -35.97 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.762 0.315 . . . . 0.0 110.62 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.396 0.617 . . . . 0.0 110.208 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.614 HD13 ' HB3' ' A' 1136 ' ' ARG . 66.2 mt -66.14 -35.12 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.521 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -57.47 -45.51 84.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.477 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.16 82.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.92 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' 1076 ' ' LEU . . . -64.86 -40.2 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.798 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' 1072 ' ' ARG . 10.1 tpt180 -58.35 -54.04 51.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.594 176.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.73 -23.32 62.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.717 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 92.81 34.34 6.93 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.071 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -109.75 14.02 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' 1071 ' ' ALA . 58.3 mt -71.4 143.24 50.22 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.425 176.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 31.7 mmmt -83.28 103.99 3.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1077 ' ' LYS . 3.0 Cg_exo -72.67 -5.96 18.15 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.899 2.399 . . . . 0.0 113.194 -169.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.09 82.91 18.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.106 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -92.57 21.8 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.119 2.546 . . . . 0.0 112.702 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 83.1 -55.39 5.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.383 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.39 148.31 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.797 0.332 . . . . 0.0 110.414 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 24.3 p -87.45 166.37 14.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . 0.62 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 49.7 ttm -66.41 -29.33 69.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 0.0 110.57 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.28 -34.35 77.92 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.879 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.81 -50.03 18.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.227 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . 0.62 ' SG ' ' HA ' ' A' 1084 ' ' MET . 4.8 p -69.52 -44.8 70.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 31.8 p -61.24 -38.22 85.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.239 0.542 . . . . 0.0 110.86 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.34 -44.89 70.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.248 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . 0.513 ' OD2' ' HB3' ' A' 1130 ' ' SER . 35.6 t70 -66.24 -32.59 74.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.957 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.908 HD23 HD11 ' A' 1203 ' ' LEU . 18.2 tp -59.55 -46.23 89.48 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.024 0.44 . . . . 0.0 110.026 177.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -63.92 -38.39 96.01 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.103 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . 0.562 ' HA ' ' HE2' ' A' 1096 ' ' LYS . 96.5 m-20 -66.64 -43.22 85.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.679 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.546 ' O ' HG12 ' A' 1098 ' ' VAL . 16.2 m -61.9 -38.9 90.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' 1196 ' ' LEU . 54.8 m -54.22 -54.65 37.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.489 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' 1093 ' ' ASN . 59.0 pttt -70.55 -36.9 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -55.48 -54.71 40.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.861 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' 1094 ' ' SER . 7.6 p -73.99 -23.31 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.021 -177.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 75.2 m -69.78 -32.61 71.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.6 m -75.19 -29.91 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.231 0.538 . . . . 0.0 109.803 172.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.558 ' HA ' ' CE ' ' A' 1104 ' ' LYS . . . -69.91 -46.2 65.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.242 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.26 -26.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.19 78.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.394 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.558 ' CE ' ' HA ' ' A' 1101 ' ' ALA . 52.6 mtmt -69.68 -29.75 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.68 -33.29 74.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 93.5 mt -81.05 35.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.189 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -65.16 138.98 39.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.242 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -132.53 -38.52 1.03 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -173.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 22.9 pt -112.93 13.45 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' 1111 ' ' GLN . . . -133.32 -155.8 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . 0.526 HE22 ' HA ' ' A' 1114 ' ' GLU . 5.9 tp60 82.01 130.88 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.813 0.816 . . . . 0.0 111.75 175.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . 174.4 50.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.202 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' 1115 ' ' ASN . 9.4 p30 -172.12 -31.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.574 -171.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.526 ' HA ' HE22 ' A' 1111 ' ' GLN . 1.6 mp0 72.86 -19.89 0.29 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.24 174.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.536 ' O ' HG13 ' A' 1119 ' ' ILE . 4.1 t-20 -64.29 -37.43 87.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.34 -35.59 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.726 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.413 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -66.23 -36.1 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.06 53.82 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.427 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1115 ' ' ASN . 66.6 mt -60.39 -45.83 96.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.582 0.229 . . . . 0.0 110.647 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.45 89.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.312 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -69.67 -29.07 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.389 0.614 . . . . 0.0 110.613 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -76.42 -26.16 55.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.783 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.27 -42.2 38.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.735 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.824 ' O ' ' HG ' ' A' 1128 ' ' LEU . 23.2 m -58.71 -45.16 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.655 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.76 -38.28 78.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.629 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -61.58 -47.18 92.06 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.076 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.7 -35.32 91.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.901 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.824 ' HG ' ' O ' ' A' 1124 ' ' VAL . 51.3 mt -71.7 -28.93 64.04 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.891 0.076 . . . . 0.0 111.119 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' 1125 ' ' ALA . 56.7 mtt-85 -59.02 -57.7 11.94 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.469 0.652 . . . . 0.0 109.834 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . 0.513 ' HB3' ' OD2' ' A' 1090 ' ' ASP . 13.6 m -63.87 -38.39 90.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.588 HD22 HD12 ' A' 1091 ' ' LEU . 0.8 OUTLIER -54.72 -53.05 60.08 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.751 177.35 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -60.25 -52.0 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.395 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.85 -36.83 75.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.719 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' 1138 ' ' VAL . . . -69.54 -44.66 70.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.908 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.84 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.405 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.614 ' HB3' HD13 ' A' 1067 ' ' ILE . 14.3 ptm180 -64.99 -34.51 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.245 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -63.31 -50.06 65.64 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.584 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 1134 ' ' ALA . 75.5 t -55.61 -47.64 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.083 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.3 93.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.422 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -75.61 -39.75 57.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.747 0.308 . . . . 0.0 111.071 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.42 HD13 ' CA ' ' A' 1084 ' ' MET . 28.0 mt -61.59 -38.79 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.046 -177.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.653 HG23 ' HG2' ' A' 1148 ' ' GLN . 8.5 t -78.04 135.5 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.159 0.504 . . . . 0.0 110.626 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 18.5 m -98.84 21.49 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' 1148 ' ' GLN . 27.5 m-20 -108.67 110.31 61.3 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.427 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.66 71.65 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.496 2.797 . . . . 0.0 112.496 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -170.15 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.494 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.611 HG23 HG21 ' A' 1142 ' ' THR . 26.8 m -69.05 -24.03 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.17 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.653 ' HG2' HG23 ' A' 1142 ' ' THR . 15.0 mt-30 -57.9 -50.36 73.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.377 0.608 . . . . 0.0 110.205 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.29 64.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -39.28 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.601 -175.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' 1147 ' ' VAL . 3.2 p -68.57 -34.57 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.027 0.441 . . . . 0.0 110.633 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1148 ' ' GLN . 40.8 mt -77.76 -42.6 33.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 110.646 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.55 -37.94 85.62 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.335 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . . . . . . . . . 11.3 p -71.8 -39.31 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.933 0.397 . . . . 0.0 110.999 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.67 68.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.128 0.49 . . . . 0.0 110.597 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . 0.427 ' HA ' HD21 ' A' 1159 ' ' LEU . 8.8 t -60.54 -34.19 73.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.582 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -68.91 -39.86 79.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.214 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . . . . . . . . . 64.9 t -57.03 -55.0 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.684 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' 1061 ' ' GLU . 4.3 pp -64.15 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.981 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.455 ' N ' HD12 ' A' 1159 ' ' LEU . 14.5 t70 -61.55 -52.95 62.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -74.05 -29.94 62.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.205 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.74 73.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.64 0.257 . . . . 0.0 111.628 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 24.3 m -59.96 -47.47 85.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . 0.488 ' O ' ' HB2' ' A' 1168 ' ' GLU . 24.4 p -68.99 -22.63 64.08 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.415 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.652 ' HG ' HG13 ' A' 1188 ' ' VAL . 2.5 tt -66.28 -49.37 67.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . 0.565 ' HB ' HD13 ' A' 1054 ' ' LEU . 55.7 mt -64.41 -46.82 91.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.531 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' 1170 ' ' LYS . 2.5 mm-40 -60.96 -38.3 85.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1164 ' ' SER . 7.1 tp10 -58.38 -50.03 75.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.042 174.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.99 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' 1167 ' ' GLU . 54.2 mtpt -55.74 -51.0 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.218 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -75.37 -30.6 60.24 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.464 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.25 86.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.118 0.485 . . . . 0.0 110.59 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 15.4 t -69.06 -17.5 63.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.58 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -98.34 10.61 63.35 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.535 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.448 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 67.8 m-70 -99.04 122.99 50.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.583 ' HA ' ' HG3' ' A' 1043 ' ' PRO . 17.0 Cg_exo -68.15 -2.22 8.51 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.155 2.57 . . . . 0.0 112.821 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 148.96 86.72 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.884 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -129.65 114.89 18.05 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.809 0.337 . . . . 0.0 110.523 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.6 -28.73 31.14 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.795 2.33 . . . . 0.0 112.723 -177.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' 1184 ' ' ARG . 43.7 mt-10 -74.45 -38.0 63.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 110.177 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 40.8 t -57.99 -38.01 75.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.584 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.57 -38.14 88.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.27 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -71.46 -40.25 70.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.424 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' 1180 ' ' GLU . 4.1 mmp_? -55.34 -54.11 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.043 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.13 -37.93 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.42 67.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.332 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.68 -38.6 73.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.687 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.652 HG13 ' HG ' ' A' 1165 ' ' LEU . 10.6 p -67.23 -34.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . 0.433 ' HA ' ' CD1' ' A' 1165 ' ' LEU . . . -68.12 -46.23 71.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.255 0.55 . . . . 0.0 110.323 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1194 ' ' GLN . 54.2 tptt -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.222 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.39 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.745 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.638 HG21 HD12 ' A' 1165 ' ' LEU . 78.3 t -59.81 -50.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.331 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' 1196 ' ' LEU . 31.9 m -66.04 -30.06 70.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1190 ' ' LYS . 24.5 mm-40 -64.49 -42.12 96.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.092 0.473 . . . . 0.0 109.941 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -70.11 -39.24 75.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.611 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.896 ' HB3' HG23 ' A' 1095 ' ' THR . 67.8 mt -55.57 -50.98 68.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.288 177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . 0.457 ' HA ' HG22 ' A' 1200 ' ' VAL . 10.4 t30 -63.28 -32.55 74.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -66.73 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.788 0.327 . . . . 0.0 110.491 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 18.5 t -73.35 -47.81 39.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.799 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' 1197 ' ' ASN . 32.7 m -68.08 -21.91 27.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.381 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 34.9 t -77.14 -34.22 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.856 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 26.6 p -86.21 -1.07 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.654 0.264 . . . . 0.0 111.486 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.908 HD11 HD23 ' A' 1091 ' ' LEU . 70.3 mt -66.49 144.57 98.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.32 125.13 17.89 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.152 1.901 . . . . 0.0 110.588 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -58.51 -41.3 95.36 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 113.226 -173.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' 1207 ' ' ARG . 5.2 tp-100 68.85 158.27 0.16 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.225 0.61 . . . . 0.0 111.353 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' 1206 ' ' GLN . 16.2 ptt-85 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.536 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . . . . . . . . . 10.3 tt -125.16 135.56 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.303 0.573 . . . . 0.0 110.687 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -129.96 91.4 39.77 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.754 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' 1047 ' ' PRO . 23.7 Cg_exo -64.77 147.91 89.88 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.829 2.352 . . . . 0.0 111.822 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 48.2 p90 -80.77 -2.31 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.833 0.825 . . . . 0.0 110.134 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 11.3 t -98.05 -5.87 33.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' A' 1049 ' ' GLU . . . -83.14 -81.84 0.95 Allowed Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.619 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' 1043 ' ' PRO . 39.7 Cg_exo -62.08 162.41 22.93 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.638 2.226 . . . . 0.0 111.58 173.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' 1051 ' ' ASP . 70.0 mt 60.8 42.67 13.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.664 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' 1046 ' ' GLY . 2.4 mp0 -52.13 -57.64 8.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.903 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.464 ' HG2' ' HB2' ' A' 1121 ' ' ALA . 63.2 mtt -77.55 -34.98 53.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.325 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' A' 1048 ' ' LEU . 12.7 t70 -59.62 -47.66 84.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.042 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 21.7 m -68.89 -29.03 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.3 70.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.137 0.494 . . . . 0.0 110.096 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' 1058 ' ' GLN . 61.3 tp -56.91 -43.98 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.517 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 47.7 m -53.48 -39.63 64.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' A' 1060 ' ' LEU . 47.0 t -64.72 -45.28 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . . . . . . . . . 47.7 t -63.24 -39.29 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.564 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' 1062 ' ' LYS . 97.3 mt-30 -63.31 -34.09 76.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -72.88 -31.85 64.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.734 HD21 ' HG2' ' A' 1129 ' ' ARG . 97.3 mt -61.97 -52.0 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.559 ' HB3' ' CD1' ' A' 1159 ' ' LEU . 4.9 pt-20 -61.05 -41.56 96.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.716 0.293 . . . . 0.0 111.536 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1058 ' ' GLN . 53.9 mttm -71.28 -33.27 69.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.54 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.76 -40.23 84.08 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 109.946 172.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' 1132 ' ' ALA . 16.9 mt -63.75 -30.17 71.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.989 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' 1061 ' ' GLU . 28.9 mt-30 -59.98 -43.69 94.95 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.321 0.388 . . . . 0.0 111.07 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.625 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.594 ' HB ' ' HE ' ' A' 1136 ' ' ARG . 11.2 mt -75.71 -32.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.379 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -62.68 -46.08 89.83 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.04 73.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.623 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.38 75.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.727 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.8 68.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 110.694 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' 1072 ' ' ARG . 3.6 tmt_? -72.41 -44.37 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.02 -33.46 68.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.022 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 98.98 45.89 2.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.6 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -127.62 25.36 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.758 -0.221 . . . . 0.0 111.249 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.94 144.45 56.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.996 0.427 . . . . 0.0 110.606 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' 1078 ' ' PRO . 11.6 mmmm -111.79 111.67 53.92 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.781 -173.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1077 ' ' LYS . 1.0 OUTLIER -85.21 22.42 0.95 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.195 2.597 . . . . 0.0 111.744 179.11 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.664 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 60.6 mt -94.26 -56.54 0.22 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.98 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 73.7 Cg_endo -77.68 113.78 3.55 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.638 1.559 . . . . 0.0 111.94 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 128.74 -12.75 6.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.977 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 63.99 -149.83 0.3 Allowed 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.718 0.305 . . . . 0.0 110.667 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 41.9 p -73.84 168.58 19.14 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . . . . . . . . . 55.1 tpp -54.83 -32.65 60.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.202 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.92 -47.85 67.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.902 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -76.86 -45.42 28.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . . . . . . . . . 73.2 m -55.51 -46.42 77.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.533 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . . . . . . . . . 36.6 p -70.7 -35.35 72.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.281 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.42 -32.86 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.037 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.498 HD12 HD22 ' A' 1131 ' ' LEU . 23.1 tp -60.42 -49.44 77.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.78 175.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.67 95.94 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.34 177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -57.66 -47.54 82.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.486 ' O ' HG12 ' A' 1098 ' ' VAL . 19.3 m -64.15 -37.09 86.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.78 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 0.899 HG23 ' HB3' ' A' 1196 ' ' LEU . 82.5 m -56.94 -53.18 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.083 0.468 . . . . 0.0 110.247 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -62.07 -35.62 79.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -60.51 -61.95 2.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.632 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.505 HG21 HD21 ' A' 1128 ' ' LEU . 5.9 p -72.01 -26.81 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.615 -175.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 32.4 t -63.09 -37.22 86.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.199 0.523 . . . . 0.0 110.087 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' 1104 ' ' LYS . 44.8 m -74.64 -25.39 59.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.449 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.481 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -76.11 -44.18 39.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.439 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 25.7 pt -64.57 -25.21 37.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.983 0.421 . . . . 0.0 110.793 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -69.18 -32.15 71.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.649 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' 1120 ' ' ALA . 57.9 mttm -73.59 -35.56 65.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.76 -46.86 87.88 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.564 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . . . . . . . . . 82.9 mt -71.27 -45.19 63.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.197 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . 62.94 -113.68 6.13 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.536 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . 0.797 ' HG3' HG12 ' A' 1109 ' ' ILE . 13.4 pt-20 -92.46 -27.13 17.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.686 0.279 . . . . 0.0 111.038 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.797 HG12 ' HG3' ' A' 1108 ' ' GLU . 5.1 pt -141.47 -96.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.414 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . 0.856 ' HB2' ' HA ' ' A' 1182 ' ' GLN . . . -120.94 2.37 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.378 0.609 . . . . 0.0 110.18 177.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -152.46 110.6 3.68 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.529 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' 1116 ' ' TYR . . . -83.77 56.4 5.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.029 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . 0.405 ' HB3' ' HD1' ' A' 1116 ' ' TYR . 60.3 t30 72.32 153.32 0.13 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.39 0.676 . . . . 0.0 110.966 -176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.07 -40.93 82.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.995 -170.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' 1119 ' ' ILE . 31.9 t-20 -69.39 -50.4 46.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -175.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' 1112 ' ' GLY . 76.7 m-85 -64.22 -27.24 68.92 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.565 -174.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.45 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.057 0.456 . . . . 0.0 110.726 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' 1049 ' ' GLU . . . -80.27 -36.34 24.32 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.364 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' 1115 ' ' ASN . 35.6 mt -65.6 -47.69 85.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.994 0.426 . . . . 0.0 110.977 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' 1104 ' ' LYS . . . -72.45 -29.27 63.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.421 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . 0.464 ' HB2' ' HG2' ' A' 1050 ' ' MET . . . -63.02 -37.99 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -79.35 -24.93 42.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.236 0.541 . . . . 0.0 109.992 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 6.3 t70 -72.73 -43.94 62.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.504 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.727 ' O ' ' HG ' ' A' 1128 ' ' LEU . 25.1 m -60.83 -43.35 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -58.92 -46.08 88.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -63.17 -40.44 99.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.422 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.98 94.96 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' 1124 ' ' VAL . 66.6 mt -69.43 -29.05 66.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.451 0.167 . . . . 0.0 111.323 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.734 ' HG2' HD21 ' A' 1060 ' ' LEU . 50.3 mtp180 -62.09 -53.55 53.83 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.208 0.528 . . . . 0.0 109.934 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' 1133 ' ' GLN . 22.2 m -65.89 -33.91 76.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.842 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.498 HD22 HD12 ' A' 1091 ' ' LEU . 2.1 tm? -58.78 -49.36 77.97 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -65.67 -40.65 92.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.413 -179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' 1130 ' ' SER . 4.2 pt20 -64.23 -36.92 85.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -71.64 -42.7 67.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.643 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.82 76.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.212 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.62 ' HD3' HD22 ' A' 1152 ' ' LEU . 16.6 mmt-85 -68.79 -36.8 78.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.013 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' 1141 ' ' LEU . . . -63.99 -45.06 94.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.646 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' 1142 ' ' THR . 83.6 t -53.96 -49.91 56.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 111.296 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' 1152 ' ' LEU . . . -62.75 -37.26 85.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.861 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . . . . . . . . . . . -69.28 -37.04 77.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.1 0.476 . . . . 0.0 110.77 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1137 ' ' GLY . 90.3 mt -75.2 -42.37 55.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.975 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.445 HG22 ' O ' ' A' 1138 ' ' VAL . 3.8 t -65.56 -46.72 78.41 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.331 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 50.7 m 64.61 10.3 5.8 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.689 ' O ' ' HG3' ' A' 1148 ' ' GLN . 9.2 t70 -85.73 117.84 69.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 O-C-N 122.371 -0.206 . . . . 0.0 110.6 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1144 ' ' ASP . 12.2 Cg_exo -70.46 66.96 2.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.803 2.335 . . . . 0.0 112.267 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -171.21 -60.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.98 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 34.9 m -70.73 -24.76 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.791 ' O ' ' HG ' ' A' 1152 ' ' LEU . 54.2 mt-30 -57.37 -51.81 67.9 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 120.802 0.334 . . . . 0.0 110.314 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.59 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.694 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.474 ' HA ' HD13 ' A' 1150 ' ' ILE . 0.8 OUTLIER -72.43 -46.86 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.778 -175.617 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.5 p -68.02 -29.77 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.383 0.611 . . . . 0.0 111.029 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.791 ' HG ' ' O ' ' A' 1148 ' ' GLN . 23.9 mt -77.56 -40.71 41.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.102 0.477 . . . . 0.0 109.782 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.48 -43.35 97.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.379 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.587 ' HB ' ' SG ' ' A' 1199 ' ' CYS . 10.4 p -63.6 -45.82 88.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.979 0.175 . . . . 0.0 111.181 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -56.18 -43.11 78.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 111.018 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -37.57 74.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.046 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.4 -37.02 81.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.348 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' 1154 ' ' THR . 96.9 t -58.9 -53.64 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.008 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.559 ' CD1' ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -69.43 -30.53 68.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.059 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.499 ' N ' HD12 ' A' 1159 ' ' LEU . 0.5 OUTLIER -57.63 -44.65 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.932 0.396 . . . . 0.0 110.517 175.2 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' 1192 ' ' VAL . 14.4 mptt -68.66 -43.45 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.534 175.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.42 89.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.722 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 27.7 t -62.14 -44.02 97.55 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 22.7 t -62.84 -39.24 93.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.264 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . . . . . . . . . 54.7 tp -56.54 -47.34 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.17 -44.97 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.462 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.35 -40.6 89.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.386 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . 0.451 ' OE2' ' HD3' ' A' 1184 ' ' ARG . 28.4 tp10 -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.087 176.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -67.02 -30.69 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.815 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.56 -30.25 70.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -76.1 -38.48 56.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.575 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.95 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.927 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 8.0 t -59.0 117.56 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.873 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . 121.28 -9.36 10.18 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.8 -175.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' 1176 ' ' PRO . 30.3 m-70 -103.7 124.39 38.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 1175 ' ' HIS . 20.7 Cg_exo -66.53 -10.21 27.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 123.006 2.471 . . . . 0.0 113.027 -177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . 153.61 80.76 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.607 ' O ' ' HG3' ' A' 1182 ' ' GLN . 33.6 t70 -105.14 119.76 52.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' 1183 ' ' GLN . 10.9 Cg_endo -54.44 -43.9 54.48 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.145 2.563 . . . . 0.0 112.726 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' 1184 ' ' ARG . 44.7 mt-10 -66.03 -43.15 88.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.439 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 23.0 t -58.17 -36.92 73.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.519 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.856 ' HA ' ' HB2' ' A' 1110 ' ' ALA . 18.5 mt-30 -65.24 -43.17 92.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.083 176.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1179 ' ' PRO . 54.2 mt-30 -64.02 -37.89 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.538 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' 1180 ' ' GLU . 89.0 mtt180 -52.21 -52.79 50.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.617 HD12 ' HB1' ' A' 1110 ' ' ALA . 69.0 mt -72.82 -38.26 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.964 -177.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.02 94.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.446 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' 1183 ' ' GLN . 51.6 mt-30 -72.54 -40.46 66.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' 1192 ' ' VAL . 10.3 p -70.8 -34.93 58.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.718 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.04 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 109.999 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' 1194 ' ' GLN . 63.0 tttm -62.33 -38.32 89.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.77 175.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.32 90.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.772 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' 1161 ' ' LYS . 59.9 t -56.19 -44.16 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.2 0.524 . . . . 0.0 109.932 175.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 21.8 m -60.82 -40.74 93.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.858 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 1190 ' ' LYS . 28.8 mm-40 -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.93 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.899 ' HB3' HG23 ' A' 1095 ' ' THR . 84.4 mt -58.48 -46.14 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.963 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.61 -37.58 86.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.655 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -65.99 -28.4 68.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.355 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . 0.587 ' SG ' ' HB ' ' A' 1154 ' ' THR . 90.9 m -69.0 -48.9 61.93 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.363 0.601 . . . . 0.0 109.909 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . . . . . . . . . 19.5 m -73.94 -21.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 27.8 t -77.93 -40.01 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.064 177.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . . . . . . . . . 31.2 p -76.06 -1.48 26.14 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.05 131.95 74.24 Favored Pre-proline 0 C--O 1.233 0.199 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.898 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -40.03 101.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.374 3.383 . . . . 0.0 114.185 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . 68.08 -74.62 0.26 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.894 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -164.84 137.08 4.47 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.424 ' HG3' ' OXT' ' A' 1207 ' ' ARG . 7.4 ptm180 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.588 177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1041 ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' 1042 ' ' ASP . 28.9 pt -91.92 -42.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1042 ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' 1041 ' ' ILE . 19.7 m-20 49.83 88.72 0.11 Allowed Pre-proline 0 C--O 1.235 0.339 0 O-C-N 124.13 0.893 . . . . 0.0 111.902 176.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1043 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.43 152.76 30.44 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.0 112.985 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1044 ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -101.41 27.0 6.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.075 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1045 ' ' THR . . . . . . . . . . . . . 13.5 p -76.42 -16.29 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.544 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.95 1.49 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.913 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1047 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.72 156.62 48.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.334 2.023 . . . . 0.0 111.598 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1048 ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' 1048 ' ' LEU . 3.3 mm? -72.73 152.39 41.67 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 121.098 0.475 . . . . 0.0 110.026 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1049 ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.2 -35.32 67.14 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.699 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1050 ' ' MET . . . . . 0.55 ' CE ' ' HB1' ' A' 1117 ' ' ALA . 62.8 mtt -60.13 -33.49 72.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.516 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1051 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.24 -46.45 61.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.993 0.425 . . . . 0.0 110.312 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 13.7 t -65.5 -43.21 90.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.073 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1053 ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' 1057 ' ' VAL . . . -59.66 -49.29 78.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.014 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1054 ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' 1058 ' ' GLN . 49.6 tp -59.19 -36.0 74.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1055 ' ' SER . . . . . . . . . . . . . 31.8 t -63.42 -44.82 93.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.521 ' O ' ' HG ' ' A' 1060 ' ' LEU . 10.3 m -71.27 -30.68 41.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.235 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1057 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 1053 ' ' ALA . 47.5 t -66.98 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.151 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1058 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1054 ' ' LEU . 97.9 mt-30 -64.6 -32.7 74.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.231 0.538 . . . . 0.0 110.859 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1059 ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -76.32 -25.44 54.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1060 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1056 ' ' VAL . 93.7 mt -75.34 -46.82 30.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.175 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' 1159 ' ' LEU . 8.0 pt-20 -57.93 -44.41 86.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.036 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' 1066 ' ' GLU . 96.9 mttt -61.07 -38.69 87.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.303 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1063 ' ' ASP . . . . . 0.452 ' O ' HG13 ' A' 1067 ' ' ILE . 18.8 t70 -63.89 -46.59 84.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.176 0.512 . . . . 0.0 110.049 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1064 ' ' LEU . . . . . 0.688 HD21 ' HB1' ' A' 1132 ' ' ALA . 14.6 mt -69.04 -31.99 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.448 -175.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1065 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1061 ' ' GLU . 10.3 mm100 -68.01 -30.3 69.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.619 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1066 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1062 ' ' LYS . 48.5 mt-10 -68.52 -43.53 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1067 ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' 1064 ' ' LEU . 52.5 mt -63.17 -39.1 83.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.224 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1068 ' ' LYS . . . . . . . . . . . . . 27.5 tptp -59.14 -43.79 92.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.417 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1069 ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.34 87.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.724 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1070 ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.41 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.124 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1071 ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.54 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.69 0.281 . . . . 0.0 111.075 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1072 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.76 -46.9 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1073 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.86 -47.31 75.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.038 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . 111.29 31.46 2.82 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.598 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1075 ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -118.44 25.47 10.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.52 142.65 48.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 111.101 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.758 ' H ' ' HD3' ' A' 1078 ' ' PRO . 74.8 mmtt -112.86 -12.04 0.11 Allowed Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1078 ' ' PRO . . . . . 0.758 ' HD3' ' H ' ' A' 1077 ' ' LYS . 1.8 Cg_endo -81.9 21.89 0.9 Allowed 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 122.016 1.811 . . . . 0.0 111.267 178.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.767 ' HB2' ' HD3' ' A' 1080 ' ' PRO . 70.1 mt -51.75 -54.81 35.96 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.157 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1080 ' ' PRO . . . . . 0.767 ' HD3' ' HB2' ' A' 1079 ' ' LEU . 93.9 Cg_endo -90.68 158.95 4.25 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.084 1.856 . . . . 0.0 112.41 178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1081 ' ' GLY . . . . . . . . . . . . . . . 137.35 -98.74 0.28 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.854 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -93.49 -177.82 4.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.965 0.412 . . . . 0.0 110.956 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1083 ' ' THR . . . . . . . . . . . . . 22.8 p -104.13 168.55 9.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1084 ' ' MET . . . . . 0.668 ' HA ' ' SG ' ' A' 1087 ' ' CYS . 48.2 tpp -68.2 -28.35 67.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.541 177.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.04 -55.05 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.037 175.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.13 -51.71 65.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.247 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1087 ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' 1084 ' ' MET . 6.8 p -63.28 -44.09 96.05 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -174.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1088 ' ' THR . . . . . 0.424 HG22 HD22 ' A' 1203 ' ' LEU . 40.6 p -65.44 -38.29 89.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 110.812 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1089 ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.38 -49.01 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.322 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1090 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.28 -31.82 73.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.234 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1091 ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' 1203 ' ' LEU . 19.8 tp -61.73 -48.9 78.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.913 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1092 ' ' GLY . . . . . 0.462 ' O ' ' HB ' ' A' 1095 ' ' THR . . . -63.89 -41.02 98.89 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.043 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1093 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.67 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.54 0.21 . . . . 0.0 110.898 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1094 ' ' SER . . . . . 0.523 ' O ' HG12 ' A' 1098 ' ' VAL . 32.1 m -67.9 -36.19 79.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 0.0 110.098 175.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1095 ' ' THR . . . . . 1.02 HG23 ' HB3' ' A' 1196 ' ' LEU . 63.3 m -57.26 -57.52 12.27 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1096 ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -64.6 -34.82 79.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.325 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1097 ' ' ALA . . . . . . . . . . . . . . . -57.3 -61.29 2.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.442 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1098 ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' 1094 ' ' SER . 7.3 p -70.86 -28.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.138 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1099 ' ' SER . . . . . . . . . . . . . 33.8 t -64.36 -37.98 89.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.243 0.544 . . . . 0.0 110.107 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1100 ' ' SER . . . . . . . . . . . . . 46.8 t -72.14 -35.16 69.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.134 0.493 . . . . 0.0 109.956 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1101 ' ' ALA . . . . . 0.417 ' HB2' ' OD1' ' A' 1123 ' ' ASP . . . -69.21 -40.36 78.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 28.0 pt -64.74 -26.0 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.889 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1103 ' ' ALA . . . . . . . . . . . . . . . -65.88 -29.41 69.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.723 0.297 . . . . 0.0 110.617 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1104 ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' 1116 ' ' TYR . 14.3 mptt -75.68 -40.32 56.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.618 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1105 ' ' LEU . . . . . 0.477 ' HG ' ' HB1' ' A' 1120 ' ' ALA . 40.6 mt -61.07 -34.97 75.75 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1106 ' ' LEU . . . . . 0.68 ' HG ' ' HB3' ' A' 1185 ' ' LEU . 11.0 mp -78.14 79.02 4.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.519 171.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -82.93 -109.48 0.48 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.692 178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1108 ' ' GLU . . . . . 0.461 ' HA ' ' OE1' ' A' 1182 ' ' GLN . 16.3 pt-20 -162.11 165.71 26.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . . . . . . . . . 22.6 pt -95.59 -168.77 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1110 ' ' ALA . . . . . . . . . . . . . . . 61.28 75.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.476 0.485 . . . . 0.0 109.828 -173.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1111 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 60.94 91.38 0.06 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.24 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1112 ' ' GLY . . . . . . . . . . . . . . . -86.25 152.49 25.6 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.245 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1113 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -84.55 110.3 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.725 0.298 . . . . 0.0 110.201 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.07 -27.55 63.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.71 -176.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1115 ' ' ASN . . . . . 0.443 ' O ' HG13 ' A' 1119 ' ' ILE . 93.4 m-20 -71.37 -44.9 64.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.278 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1116 ' ' TYR . . . . . 0.482 ' CZ ' ' HG3' ' A' 1104 ' ' LYS . 1.7 t80 -59.18 -47.51 85.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1117 ' ' ALA . . . . . 0.55 ' HB1' ' CE ' ' A' 1050 ' ' MET . . . -61.73 -38.45 87.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.888 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1118 ' ' GLY . . . . . . . . . . . . . . . -64.65 -50.58 58.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.252 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1119 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 1115 ' ' ASN . 73.5 mt -57.31 -45.87 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.538 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1120 ' ' ALA . . . . . 0.477 ' HB1' ' HG ' ' A' 1105 ' ' LEU . . . -65.09 -38.08 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1121 ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.81 85.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.058 0.456 . . . . 0.0 110.917 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1122 ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' 1122 ' ' ARG . 43.5 ttp180 -75.12 -33.15 61.55 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 110.212 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1123 ' ' ASP . . . . . 0.417 ' OD1' ' HB2' ' A' 1101 ' ' ALA . 11.1 t70 -69.63 -45.5 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.784 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.6 ' O ' HD22 ' A' 1128 ' ' LEU . 23.2 m -60.79 -39.37 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.946 178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1125 ' ' ALA . . . . . 0.595 ' O ' ' HG3' ' A' 1129 ' ' ARG . . . -57.65 -46.63 83.97 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.418 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1126 ' ' GLY . . . . . . . . . . . . . . . -60.86 -37.37 93.6 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.855 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1127 ' ' GLY . . . . . . . . . . . . . . . -62.79 -43.87 98.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.159 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1128 ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' 1124 ' ' VAL . 0.1 OUTLIER -63.21 -38.77 92.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.514 0.197 . . . . 0.0 111.113 179.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1129 ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' 1125 ' ' ALA . 29.3 mtm180 -59.82 -54.14 49.76 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.168 0.508 . . . . 0.0 109.916 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1130 ' ' SER . . . . . . . . . . . . . 20.7 m -59.57 -42.45 92.49 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1131 ' ' LEU . . . . . 0.411 HD22 HD12 ' A' 1091 ' ' LEU . 1.1 tm? -58.16 -49.93 75.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.776 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1132 ' ' ALA . . . . . 0.688 ' HB1' HD21 ' A' 1064 ' ' LEU . . . -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.358 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1133 ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.51 -41.11 96.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.171 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1134 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.1 74.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.868 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.86 80.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.736 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1136 ' ' ARG . . . . . 0.497 ' HE ' HD11 ' A' 1067 ' ' ILE . 7.8 ptm180 -66.07 -24.5 66.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.398 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1137 ' ' GLY . . . . . . . . . . . . . . . -73.6 -49.22 15.13 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.377 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1138 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 1087 ' ' CYS . 53.5 t -53.6 -48.65 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 122.402 0.281 . . . . 0.0 111.306 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.4 80.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.675 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1140 ' ' ALA . . . . . 0.533 ' HB1' ' C ' ' A' 1078 ' ' PRO . . . -72.46 -46.0 56.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 110.826 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1141 ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' 1079 ' ' LEU . 86.0 mt -67.34 -38.39 84.77 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.783 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1142 ' ' THR . . . . . 0.462 HG21 HG23 ' A' 1147 ' ' VAL . 12.6 t -75.12 150.93 38.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1143 ' ' SER . . . . . . . . . . . . . 26.7 m -114.1 4.25 15.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.723 0.297 . . . . 0.0 110.978 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1144 ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' 1148 ' ' GLN . 14.1 t70 -80.33 115.61 55.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1145 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -76.12 66.59 6.95 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.494 2.129 . . . . 0.0 112.1 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1146 ' ' ALA . . . . . . . . . . . . . . . -168.53 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.497 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1147 ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' 1151 ' ' VAL . 26.9 m -67.05 -25.83 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.108 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.586 ' O ' ' HG ' ' A' 1152 ' ' LEU . 18.0 mt-30 -52.83 -53.96 41.16 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.242 0.544 . . . . 0.0 110.839 177.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1149 ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.84 68.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1150 ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' 1202 ' ' CYS . 0.4 OUTLIER -72.75 -36.27 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.78 -174.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1151 ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' 1147 ' ' VAL . 3.3 p -69.29 -35.61 68.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.175 0.512 . . . . 0.0 110.445 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1152 ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' 1148 ' ' GLN . 34.9 mt -75.27 -42.28 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.371 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1153 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.41 -46.48 80.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1154 ' ' THR . . . . . 0.518 ' O ' HG23 ' A' 1158 ' ' VAL . 11.6 p -68.62 -41.01 80.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1155 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.89 93.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.2 0.524 . . . . 0.0 110.834 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1156 ' ' SER . . . . . . . . . . . . . 20.2 t -66.45 -32.98 74.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.836 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1157 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.08 -36.85 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1158 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 1154 ' ' THR . 75.5 t -57.0 -56.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.817 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1061 ' ' GLU . 4.5 pp -67.43 -30.36 70.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.874 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1160 ' ' ASP . . . . . 0.516 ' N ' HD12 ' A' 1159 ' ' LEU . 31.9 t70 -56.49 -48.4 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.494 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1161 ' ' LYS . . . . . . . . . . . . . 13.2 mptt -76.18 -33.82 59.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1162 ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' 1159 ' ' LEU . . . -60.34 -39.32 86.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 111.141 178.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.507 ' O ' ' HG3' ' A' 1167 ' ' GLU . 41.9 m -59.81 -52.1 66.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.025 176.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1164 ' ' SER . . . . . . . . . . . . . 27.0 m -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1165 ' ' LEU . . . . . 0.57 HD22 HG13 ' A' 1188 ' ' VAL . 0.9 OUTLIER -66.04 -53.17 41.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1166 ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.79 -44.44 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.453 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1167 ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' 1171 ' ' LYS . 53.2 mt-10 -60.5 -47.32 86.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1168 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -59.13 -49.79 76.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.655 0.264 . . . . 0.0 110.609 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1169 ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.83 73.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.049 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.454 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1171 ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' 1167 ' ' GLU . 27.3 mtpt -67.92 -32.52 73.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.628 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1172 ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.897 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1173 ' ' SER . . . . . . . . . . . . . 50.2 m -65.17 -25.32 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.239 0.542 . . . . 0.0 110.211 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1174 ' ' GLY . . . . . . . . . . . . . . . -98.31 13.45 63.05 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1175 ' ' HIS . . . . . 0.604 ' HB3' ' HB3' ' A' 1178 ' ' ASP . 9.0 m170 -129.22 63.68 68.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 122.477 0.311 . . . . 0.0 110.755 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1176 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.28 -14.01 28.3 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.046 1.831 . . . . 0.0 112.283 -178.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1177 ' ' GLY . . . . . . . . . . . . . . . -122.65 30.96 4.96 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1178 ' ' ASP . . . . . 0.604 ' HB3' ' HB3' ' A' 1175 ' ' HIS . 25.5 t0 -117.54 104.02 50.19 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 0.0 110.424 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1179 ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' 1178 ' ' ASP . 27.5 Cg_endo -62.57 -31.57 79.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.664 2.242 . . . . 0.0 112.111 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1180 ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' 1184 ' ' ARG . 43.4 mt-10 -71.66 -20.76 61.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.299 -178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1181 ' ' SER . . . . . . . . . . . . . 49.3 m -59.36 -35.84 74.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.651 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1182 ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' 1108 ' ' GLU . 30.9 mm-40 -67.85 -47.08 69.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.231 176.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1183 ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' 1187 ' ' GLN . 6.4 tm0? -57.04 -45.76 82.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1184 ' ' ARG . . . . . 0.632 ' HA ' HE21 ' A' 1187 ' ' GLN . 57.7 mtt85 -65.41 -43.25 91.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.788 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1185 ' ' LEU . . . . . 0.68 ' HB3' ' HG ' ' A' 1106 ' ' LEU . 53.6 mt -56.97 -44.27 82.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1186 ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.55 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.228 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . 0.632 HE21 ' HA ' ' A' 1184 ' ' ARG . 46.6 mt-30 -66.1 -50.65 63.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1188 ' ' VAL . . . . . 0.57 HG13 HD22 ' A' 1165 ' ' LEU . 7.9 p -70.77 -38.36 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.405 -175.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1189 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.18 86.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1190 ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' 1190 ' ' LYS . 12.3 tppt? -65.68 -39.78 91.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.731 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1191 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.957 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1188 ' ' VAL . 67.9 t -62.07 -47.12 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.01 0.434 . . . . 0.0 109.97 175.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1193 ' ' THR . . . . . . . . . . . . . 25.7 m -61.44 -38.25 86.5 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.107 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.29 -45.2 73.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.35 95.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 1.02 ' HB3' HG23 ' A' 1095 ' ' THR . 76.2 mt -55.1 -50.11 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.949 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1197 ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.17 -43.3 95.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1198 ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -64.87 -24.88 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.746 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1199 ' ' CYS . . . . . . . . . . . . . 19.6 t -73.15 -49.09 30.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1200 ' ' VAL . . . . . 0.559 ' HA ' ' HG ' ' A' 1203 ' ' LEU . 16.3 m -70.51 -21.92 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.539 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1201 ' ' SER . . . . . . . . . . . . . 69.6 m -70.55 -25.43 63.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.605 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1202 ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' 1150 ' ' ILE . 95.0 m -86.49 -5.19 59.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.499 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1203 ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' 1200 ' ' VAL . 74.2 mt -62.25 127.58 89.85 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1204 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1203 ' ' LEU . 3.3 Cg_exo -79.05 134.9 11.97 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.263 2.642 . . . . 0.0 112.014 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1205 ' ' GLY . . . . . . . . . . . . . . . -81.2 74.42 2.44 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.367 177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 34.28 81.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.505 1.122 . . . . 0.0 113.037 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.258 -177.506 . . . . . . . . 0 0 . 1 stop_ save_