data_1rch_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 1rch _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 ' 2' ' ' LEU . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -83.45 71.46 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -162.78 151.49 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -84.14 133.11 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.01 140.2 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mt -136.02 86.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -89.92 104.25 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -91.54 142.52 27.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.37 108.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.84 53.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -132.85 40.26 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.006 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.8 t -86.06 117.71 25.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.73 -36.97 18.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.06 -147.93 16.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -176.6 76.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.329 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.24 53.72 Favored 'Cis proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -4.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.4 171.06 43.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.2 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.24 -159.7 8.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.73 -149.53 5.72 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 33.0 p90 -150.15 122.53 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 111.023 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.85 132.06 9.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.75 139.91 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.06 111.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.94 140.67 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -123.52 100.82 7.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' CE1' HD23 ' A' ' 59' ' ' LEU . 2.2 t80 -111.67 -165.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -175.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -54.81 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.2 34.61 8.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -159.06 108.91 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.284 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.5 108.85 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.307 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -97.41 146.96 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -122.51 144.97 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -136.71 93.57 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.29 94.24 3.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.4 179.35 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 106.82 0.48 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.93 174.5 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.033 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 p -107.08 -34.34 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -152.75 106.27 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 t -160.02 165.89 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.6 p -98.81 150.11 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -57.29 -41.31 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.3 m-80 -54.88 -56.6 17.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -56.02 -48.68 75.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.9 mmt -57.13 -39.9 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.29 -45.21 91.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt -59.61 -48.39 81.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.422 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 42.1 tpp -53.3 -34.71 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.68 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.41 -55.18 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.0 -41.53 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.45 46.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.23 -46.66 82.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 106' ' ' ARG . 18.6 mt-10 -59.96 -42.44 94.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.59 -36.32 55.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' A' ' 28' ' ' TYR . 16.0 mt -54.58 127.13 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -97.8 27.6 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 179.18 105.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -55.68 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.04 175.12 9.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.44 136.2 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -137.03 133.78 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 tt -116.23 104.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tt -87.17 140.78 29.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -134.25 127.41 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -169.42 -170.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -156.15 31.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -82.61 138.18 34.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.91 -42.18 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.451 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 14.1 t80 -50.39 -36.56 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -84.23 -51.02 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -46.99 -56.06 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.9 -50.75 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.08 -48.68 19.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.51 -68.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -94.71 39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -166.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -51.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.456 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 41.7 m0 -86.59 -42.04 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.042 -171.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -78.92 -33.57 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -175.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.65 -36.62 76.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.563 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -90.09 -48.1 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 47.3 m0 -57.91 -60.35 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -55.14 21.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -175.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -50.05 -56.98 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.74 -31.25 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.253 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.02 40.69 0.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.1 m95 50.96 64.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -152.97 163.57 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -90.43 -172.68 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.83 62.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -99.54 32.88 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.4 mttt 50.91 90.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -160.12 167.86 13.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.69 34.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.07 151.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -77.67 127.82 33.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t30 61.63 42.55 10.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.99 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.84 -37.08 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.414 ' CZ3' HD23 ' A' ' 49' ' ' LEU . 13.0 m95 -60.07 -54.34 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 107.974 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.94 -46.24 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.4 ' CZ ' ' OE2' ' A' ' 57' ' ' GLU . 7.9 ttt180 -53.98 -43.67 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.59 -68.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -49.03 -47.73 44.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.6 83.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.07 63.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.41 -30.07 66.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.96 54.37 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -147.56 -52.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.291 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 175.84 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 -171.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -79.82 110.47 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.9 mm -87.57 130.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -122.69 98.75 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -79.57 107.89 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.44 88.22 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.91 125.46 29.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.32 136.47 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -56.62 -45.9 81.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -56.9 -45.84 82.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.24 -37.49 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.9 ttp85 -67.82 -33.51 74.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.68 -47.33 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.83 -39.89 86.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.35 -51.11 69.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.04 -41.54 88.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.26 -41.73 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.23 75.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.55 -39.03 38.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.86 67.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 20.5 mmt -95.75 33.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -160.39 72.68 2.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.39 9.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 40.2 p -148.74 38.68 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.72 -168.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.8 141.76 23.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.38 102.03 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -94.33 -40.92 9.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -91.01 49.82 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.031 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -86.3 56.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -165.08 140.51 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -78.91 137.63 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -122.14 144.05 49.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.8 mt -137.54 86.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.433 ' CE1' ' OG ' ' A' ' 68' ' ' SER . 0.1 OUTLIER -100.93 105.72 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 175.221 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 p -91.48 153.95 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.69 92.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.46 144.9 20.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.36 98.08 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -108.91 137.65 46.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.9 mt -81.93 -33.18 30.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.75 -151.49 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -168.24 77.66 0.84 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.1 89.18 Favored 'Cis proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -2.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.51 41.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.9 -155.94 8.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.82 169.46 42.43 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 31.3 p90 -118.76 114.74 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 111.013 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 133.57 11.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.22 123.13 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.373 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.97 88.43 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 31.9 tp -91.64 106.74 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -92.96 98.0 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.22 -164.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -58.98 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -173.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.22 37.87 18.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -158.39 124.98 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -74.34 139.97 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -147.82 117.64 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.5 m -95.84 144.36 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.513 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 18.7 m-85 -128.25 88.32 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -127.05 93.3 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.89 -174.47 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.58 112.46 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -106.46 146.12 30.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 111.017 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 p -86.26 -34.9 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.372 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -147.55 105.59 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -176.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.09 166.72 29.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -104.38 165.58 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 m120 -54.49 -45.04 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -176.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -60.12 -53.28 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -36.83 53.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.12 -68.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' CH2' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -48.13 -35.84 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.479 ' HG2' ' CG ' ' A' ' 22' ' ' TYR . 2.4 ttm -58.88 -62.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.09 -39.45 13.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.47 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.38 -61.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -49.22 -45.74 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.56 88.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.62 -33.03 72.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.26 -48.67 72.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.29 -38.99 55.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 114' ' ' HIS . 8.3 mt -61.83 97.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -96.18 46.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.43 155.15 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.454 ' CE1' ' NE2' ' A' ' 113' ' ' GLN . 9.3 m-70 -80.05 109.84 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.4 m -150.74 174.8 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.261 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.91 169.3 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -152.7 135.99 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.3 tp -113.05 110.19 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.9 148.54 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -173.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.433 ' OG ' ' CE1' ' A' ' 8' ' ' PHE . 7.4 t -145.24 116.25 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -166.58 -170.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.399 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.15 34.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 t -84.69 116.27 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -58.88 -37.9 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.469 ' CD2' ' HB3' ' A' ' 45' ' ' ASN . 18.7 t80 -54.45 -43.27 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.15 -53.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -47.88 -55.84 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -176.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 33.8 mt-30 -69.05 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 81' ' ' TRP . . . -41.87 -34.24 1.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.9 mm -82.63 -69.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 p -93.98 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -152.5 -51.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 173.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.46 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 39.7 m0 -90.8 -41.14 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.032 -172.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.4 HD13 ' CE3' ' A' ' 104' ' ' TRP . 45.1 mt -82.66 -31.51 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -59.39 -34.87 72.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.558 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 -49.11 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' CG1' ' A' ' 98' ' ' VAL . 40.4 m0 -53.85 -56.06 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -49.61 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -174.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -50.79 -52.44 41.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -50.03 -28.77 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.61 37.1 1.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.2 m95 50.62 60.36 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -153.13 155.32 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.2 p -95.51 -170.84 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.18 88.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.01 34.66 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -177.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 pttt 44.35 36.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -95.9 168.21 11.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.21 41.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG1' ' CZ3' ' A' ' 85' ' ' TRP . 48.4 t -82.87 150.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.43 121.47 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.57 41.94 14.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.92 -31.31 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.31 -53.83 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.311 -175.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.63 -44.01 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.457 ' CH2' ' CD1' ' A' ' 49' ' ' LEU . 69.2 m95 -49.89 -57.42 7.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 107.985 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -48.99 -51.61 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -54.63 -37.45 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.84 -31.09 64.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.26 -60.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.37 -33.81 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.45 -34.76 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.05 -29.5 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 172.47 52.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.454 ' NE2' ' CE1' ' A' ' 62' ' ' HIS . 3.3 mm100 63.39 11.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.409 ' CE1' HD11 ' A' ' 59' ' ' LEU . 9.7 m-70 -139.86 116.48 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -169.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -79.44 88.39 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 163.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -89.4 107.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -171.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -84.56 102.02 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.624 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 87.2 m95 -78.25 98.66 5.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -94.63 91.74 6.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.624 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 54.2 m95 -79.46 105.88 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.049 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.86 -178.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.607 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -59.74 -56.74 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -55.58 -36.24 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.12 -35.08 80.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -66.78 -49.51 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.75 -28.33 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.296 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.37 -40.03 89.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.74 -39.13 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.08 -43.88 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.4 94.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -64.05 -39.33 93.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.97 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.72 81.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.13 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 25.9 mmt -79.47 -25.4 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -144.26 78.36 13.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.3 m -156.78 -49.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 20.2 mt -81.47 -168.48 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -149.53 158.47 44.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.59 97.69 5.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.5 m -87.42 -42.22 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -92.18 49.57 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 111.039 179.256 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -84.57 64.8 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.1 128.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 t -81.47 131.3 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -112.54 101.56 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.7 mt -104.14 121.23 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -129.47 107.22 9.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -86.81 148.0 25.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -160.25 97.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 140.36 42.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.065 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -108.81 36.35 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.011 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.32 111.65 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 108.296 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.17 -41.06 20.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.98 -148.71 23.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -175.49 76.98 0.3 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.278 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.0 41.0 Favored 'Cis proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -6.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.97 174.14 46.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.29 -152.69 5.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.87 -150.16 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 16.4 p90 -146.58 133.12 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 111.001 177.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.07 123.8 4.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.76 124.09 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.0 mt -80.58 118.05 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD2' ' CE2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -122.42 94.41 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -78.98 124.27 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -114.88 -165.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -55.79 97.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -171.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.33 34.27 18.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -158.99 116.99 2.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.29 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.96 108.43 10.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 113.31 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -101.47 141.74 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 14.9 m-85 -126.22 94.61 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.994 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 t -131.82 81.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.73 151.81 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 156.61 15.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -135.92 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.983 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -85.65 -35.86 20.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -164.51 114.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.91 163.3 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 p -92.05 172.85 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -77.4 -43.12 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.456 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.1 m-80 -57.92 -53.21 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -56.54 -42.02 77.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.5 mmt -73.03 -35.54 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.2 -46.74 75.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' CZ2' ' A' ' 104' ' ' TRP . 10.4 mt -59.27 -56.83 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.465 ' CG ' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -47.51 -38.2 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.31 -59.63 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.64 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.62 -57.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 22' ' ' TYR . 53.4 t -52.23 -38.87 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -48.2 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.33 -33.85 65.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 37.6 mt-10 -55.32 -49.88 71.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -52.77 -38.68 61.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 114' ' ' HIS . 33.6 mt -71.29 133.99 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 173.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -141.4 52.67 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -175.39 170.67 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.18 76.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -161.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -168.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -141.64 107.3 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 172.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.07 135.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -167.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 tp -114.2 96.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tt -85.83 141.01 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -136.02 121.0 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -160.36 175.32 12.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -138.19 31.99 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -80.34 116.46 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.26 -33.82 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 18.5 t80 -58.46 -42.03 86.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.54 -42.5 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.36 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -46.32 -57.85 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.25 -44.7 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.26 -54.12 13.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -68.28 -70.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.58 0.812 . . . . 0.0 109.312 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -94.99 40.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -164.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -159.48 -52.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.458 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 45.8 m0 -81.97 -43.63 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.054 -170.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -75.69 -35.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -58.39 -40.35 82.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.3 -45.7 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.458 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 50.1 m0 -60.99 -58.13 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.019 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.34 -57.6 10.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -52.07 -52.51 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -53.47 -32.23 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.33 43.82 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.6 m95 56.51 78.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 85' ' ' TRP . 65.8 mttt -145.93 -169.69 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.6 p -132.79 -61.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -157.25 -72.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -96.16 45.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.3 mttt 59.02 90.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -151.2 162.01 28.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 110.965 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.0 156.64 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -79.57 132.13 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 58.56 38.87 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.57 -34.81 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -56.02 -48.79 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -73.34 -32.73 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.413 ' CZ2' HD13 ' A' ' 49' ' ' LEU . 69.7 m95 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -54.44 -48.15 72.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.411 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 10.4 ttt180 -57.62 -38.46 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.68 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.51 -47.89 48.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -172.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.31 86.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.05 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.47 -23.56 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.36 47.5 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -137.64 -50.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -107.06 163.37 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -168.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -78.57 106.73 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.4 110.83 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -98.35 103.82 15.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -77.8 92.02 4.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -97.35 89.1 4.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -83.32 121.2 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.2 m -86.01 171.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -174.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 174.252 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -67.18 -53.03 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -64.01 -36.16 83.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -55.05 -45.25 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -65.8 -37.33 85.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 56.9 m -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 108.296 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -59.1 -42.37 90.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.7 -48.25 78.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -58.81 -42.23 88.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.35 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -56.74 -43.06 80.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.71 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.79 56.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.24 -32.65 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 15.0 mmt -94.28 36.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -155.69 67.96 4.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -9.17 20.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 p -95.8 88.97 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.93 -170.14 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.33 113.07 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -81.99 88.56 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -100.72 -41.62 6.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -56.69 -49.1 72.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -126.5 58.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -152.25 150.26 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.96 116.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.51 105.85 12.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -164.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.73 78.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -170.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.73 104.96 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.4 p -100.72 150.03 23.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -160.2 124.44 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 174.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.58 145.99 16.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -161.39 127.92 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.7 t -114.4 148.62 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 108.297 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.46 64.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -176.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.63 -143.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -170.71 78.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -66.7 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 5.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 173.01 22.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.043 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 152.21 50.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -172.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.45 116.7 5.3 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -104.24 120.43 41.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -176.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -140.09 111.32 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.83 98.29 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.89 102.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -101.29 96.64 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.67 102.02 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.41 174.91 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -49.52 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.7 32.32 24.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -149.16 87.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.81 109.66 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -117.09 131.81 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 37.2 m -96.57 145.41 25.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.471 ' CE2' ' CB ' ' A' ' 58' ' ' ALA . 21.8 m-85 -141.26 90.71 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -151.14 70.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -171.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.57 -168.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 127.27 2.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.64 174.68 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 111.001 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -99.36 -46.14 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.22 92.11 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -172.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 t -162.55 143.03 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -82.58 173.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.33 -38.82 71.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -54.93 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -178.469 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 151' ' ' TYR . 15.2 ptm180 -61.5 -28.94 69.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.3 mmt -53.63 -63.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.29 -38.41 65.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 1.3 mt -51.64 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.1 ptp -64.92 -24.11 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -172.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . . . -52.06 -59.06 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 174.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.2 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.96 -60.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.79 -26.71 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.9 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.38 -34.04 73.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -80.32 -32.01 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' CB ' ' CE2' ' A' ' 35' ' ' PHE . . . -57.9 -42.12 84.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pp -57.29 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -158.58 31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -156.12 111.88 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.43 84.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 12.4 m -141.82 162.1 36.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -165.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -46.52 130.6 11.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.24 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 114' ' ' HIS . 49.3 t -135.32 131.23 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 tt -99.43 145.47 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 HD11 ' CZ3' ' A' ' 118' ' ' TRP . 0.4 OUTLIER -131.73 90.97 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -172.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 m -80.91 105.45 12.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -142.59 169.59 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.63 46.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -100.61 146.58 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.67 -34.27 40.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.467 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 12.9 t80 -70.48 -47.41 60.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -68.97 -57.23 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -47.13 -47.52 23.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.54 -56.98 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.69 -40.73 18.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.484 ' CD1' ' CH2' ' A' ' 118' ' ' TRP . 22.6 mt -79.85 -69.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.1 p -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.62 -48.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -90.41 -58.79 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.429 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 13.5 mt -56.99 -35.2 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -167.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -57.69 -38.95 76.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.61 -44.33 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -58.92 -46.73 87.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -57.18 -60.88 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.96 -44.56 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -50.66 -30.5 13.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.49 38.46 1.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.9 m95 57.52 47.06 16.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -142.34 142.97 32.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 p -93.26 -34.6 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.74 -163.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.59 90.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 66.02 58.91 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -133.29 155.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.0 t -100.29 149.06 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.92 125.34 27.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 58.96 53.3 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.245 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.1 -38.43 71.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.65 -56.24 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.07 -40.3 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CZ3' HD13 ' A' ' 82' ' ' ILE . 7.0 m95 -59.21 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -52.94 -41.47 64.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.08 -34.71 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -59.51 5.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 173.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.98 -46.8 76.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -171.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.2 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.95 -36.92 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.06 -32.35 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.61 52.2 2.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -174.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.0 -53.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.312 169.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 1.3 p-80 -125.66 -178.04 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -89.63 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 173.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.456 ' O ' ' CD1' ' A' ' 118' ' ' TRP . 4.0 mp -87.89 92.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 174.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -83.79 106.89 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.484 ' CH2' ' CD1' ' A' ' 78' ' ' ILE . 36.3 m95 -84.06 97.78 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 -171.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.95 102.4 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.432 ' CZ2' ' CB ' ' A' ' 118' ' ' TRP . 16.5 m95 -84.76 110.03 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.8 m -100.54 154.46 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 54.6 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.268 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.38 -45.09 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -54.46 -44.35 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.96 -38.44 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -67.9 -35.03 77.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 39.2 m -61.95 -50.72 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.88 -47.34 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.76 -42.36 71.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.23 -38.85 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -34.33 66.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.35 80.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.0 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.31 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.91 35.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -161.2 80.87 2.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 36.3 p -150.37 -56.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.42 178.99 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.03 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -88.3 133.78 33.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 14.3 t -101.12 41.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.68 -45.68 0.59 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . 0.483 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 3.0 m-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 110.986 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -84.17 64.02 8.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -160.04 -178.64 7.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -87.75 131.68 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -125.44 138.9 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.84 103.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.72 104.2 14.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.0 p -90.94 143.34 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.415 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -160.3 97.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.36 162.65 33.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.2 p -152.67 91.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.42 130.91 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.288 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.2 -43.18 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.7 -146.48 15.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.107 . . . . 0.0 110.983 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -176.38 76.35 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.31 68.77 Favored 'Cis proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -2.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.41 173.54 43.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.46 -164.19 9.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 177.73 35.7 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' TYR . 31.2 p90 -123.99 98.72 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.85 121.33 6.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.64 135.0 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.1 mt -88.64 158.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 35' ' ' PHE . 7.2 tp -135.61 153.17 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -135.39 90.21 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE1' HD23 ' A' ' 59' ' ' LEU . 1.9 t80 -113.13 124.07 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 63.56 -154.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.35 30.62 4.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -140.12 133.04 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 110.277 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -87.9 144.35 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -131.76 178.23 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 47.6 m -151.79 154.07 35.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 58' ' ' ALA . 24.0 m-85 -140.04 93.72 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -135.35 86.11 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.18 -175.86 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.71 120.38 2.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -101.48 155.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.021 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 p -83.58 -47.18 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -142.54 109.53 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.18 164.42 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -98.68 176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.12 -41.76 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.471 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.4 m-80 -53.89 -59.9 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -52.62 -38.67 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -54.9 37.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.68 -45.16 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.4 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.3 tpp -54.36 -33.33 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.03 44.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.86 87.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.2 mt -68.59 -59.75 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -52.64 -43.02 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.13 -46.54 90.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 24.0 mt-10 -56.84 -40.18 75.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -56.89 -36.34 70.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' CE1' ' A' ' 28' ' ' TYR . 36.4 mt -54.85 128.33 32.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -99.11 26.92 5.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 178.86 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -55.88 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 56.1 m -131.01 174.74 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.268 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -46.28 135.23 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.7 t -137.28 133.71 46.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -117.37 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.65 140.55 33.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -132.5 123.34 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -169.38 -169.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -159.65 34.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -80.79 136.98 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -72.56 -38.26 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.471 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 12.8 t80 -56.16 -39.43 72.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.62 -49.34 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -47.73 -57.79 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.64 -50.71 19.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' HA2' ' CE3' ' A' ' 81' ' ' TRP . . . -47.43 -43.43 20.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 36.5 mm -76.36 -72.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 p -67.06 -29.04 68.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -167.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -58.0 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 -168.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.41 ' CE3' ' HA2' ' A' ' 77' ' ' GLY . 51.2 m0 -77.43 -44.67 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -165.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.1 tt -49.76 -35.22 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -172.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -58.32 -72.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -57.36 -38.98 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -57.96 -63.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -55.35 -55.64 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -50.66 -52.67 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -51.74 -31.05 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.42 41.71 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.3 m95 56.52 47.73 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -150.11 -179.34 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.7 p -91.12 -171.86 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.92 -36.09 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.9 32.93 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mttt 50.99 90.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -160.06 168.15 12.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.72 28.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.67 151.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -76.87 130.11 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 59.78 38.93 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.44 -40.15 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.37 -49.87 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.16 -35.6 81.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -61.21 -56.07 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -48.75 -49.25 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 9.1 ttt180 -54.11 -39.04 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.2 tp -72.02 -67.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.2 -43.64 42.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.13 89.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.11 75.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -57.95 -32.35 67.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.77 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -148.55 -52.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 176.2 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.618 -173.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -79.92 109.8 14.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.402 HG23 ' CD1' ' A' ' 118' ' ' TRP . 47.6 mm -86.02 132.06 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -126.74 99.24 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.402 ' CD1' HG23 ' A' ' 116' ' ' ILE . 99.2 m95 -79.89 111.2 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.01 87.25 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -79.93 115.5 19.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.85 159.46 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.0 -41.07 77.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.17 -44.16 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -57.48 -39.15 75.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -67.05 -34.66 78.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.79 -52.39 65.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.263 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.43 -41.39 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -52.18 -45.17 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.89 -40.16 79.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.64 76.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.9 ttm105 -66.86 -49.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.72 88.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.16 -37.21 69.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.49 69.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 32.5 tpp -94.93 35.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -160.23 77.25 2.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 85.6 m -104.8 -34.45 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -168.08 2.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -177.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -139.62 155.43 47.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.36 123.13 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.0 m -53.44 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.83 39.14 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.285 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -84.15 60.63 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -165.19 154.53 12.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 t -79.96 133.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -120.31 142.03 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.7 mt -134.94 101.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.439 ' CD2' ' OG ' ' A' ' 68' ' ' SER . 79.4 m-85 -101.7 103.21 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -87.61 142.54 27.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.383 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -160.37 90.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 172.99 53.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 t -157.17 109.64 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.945 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 p -132.09 151.05 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.43 -53.7 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.36 100.23 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 9.6 t30 53.66 90.1 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 -78.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -5.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.95 79.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.62 5.72 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.74 -150.18 9.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.02 -174.16 22.4 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 22' ' ' TYR . 32.1 p90 -122.75 99.79 6.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 111.02 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.34 104.33 2.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.72 114.65 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.306 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.0 mt -92.92 102.03 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -101.2 119.51 38.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -177.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -101.59 125.82 48.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -105.44 -164.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -53.54 96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.02 42.11 15.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -158.67 110.13 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.3 143.33 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -140.34 146.54 38.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 m -110.39 143.35 40.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 7.0 m-85 -144.16 89.24 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -151.61 95.98 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.045 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.16 -171.63 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.41 114.03 2.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -104.42 129.43 52.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 111.021 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.9 p -78.63 -25.4 45.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -173.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -146.02 107.17 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 164.7 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -114.49 -166.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.11 -55.1 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -52.73 -38.22 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -177.518 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -65.38 -60.37 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.5 mmt -55.93 -45.3 78.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -51.3 -53.48 35.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 104' ' ' TRP . 14.2 mt -59.54 -53.29 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.8 tpp -48.23 -40.99 26.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.18 -68.87 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.15 77.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.48 -59.52 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.72 -41.64 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.09 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.18 -42.68 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -55.99 -43.77 77.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.23 54.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.57 102.58 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -100.89 54.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -176.52 156.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' A' ' 113' ' ' GLN . 2.6 m-70 -80.43 112.21 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 114' ' ' HIS . 24.0 m -143.28 -146.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 -178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -123.89 165.93 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -152.97 149.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 tt -130.25 99.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.11 134.71 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.439 ' OG ' ' CD2' ' A' ' 8' ' ' PHE . 9.5 p -124.71 124.73 42.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.3 t -166.83 -169.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.75 32.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -90.35 105.44 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -55.23 -34.29 63.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 45' ' ' ASN . 3.9 t80 -52.66 -43.19 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.88 -53.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 69.4 ttt180 -45.12 -46.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -69.1 -67.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -43.69 -37.41 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 13.5 mm -67.9 -75.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -69.12 -28.71 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -168.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -66.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.416 ' CG ' ' HA2' ' A' ' 77' ' ' GLY . 50.5 m0 -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 107.997 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.5 tt -49.53 -35.97 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -59.07 -72.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -56.57 -39.64 73.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -58.08 -72.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -52.93 39.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -48.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -49.64 -29.27 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.6 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.1 m95 52.74 47.78 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -150.54 179.91 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.5 p -93.36 -172.46 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.77 42.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 95' ' ' LYS . 4.4 p-10 -97.24 39.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' ASP . 49.9 pttt 38.97 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -148.34 166.37 15.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.88 29.55 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.97 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.3 t -85.94 150.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -76.19 128.34 34.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 60.51 39.44 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.24 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.72 -47.17 87.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.7 -38.72 80.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.411 ' CE2' HD13 ' A' ' 49' ' ' LEU . 16.6 m95 -62.7 -47.74 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.019 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.26 -55.67 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.08 -38.71 65.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.402 HD21 ' CZ3' ' A' ' 104' ' ' TRP . 21.3 tp -62.74 -42.19 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.42 -56.0 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.27 -40.43 71.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 114' ' ' HIS . . . -68.21 -31.21 70.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.63 -10.43 59.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.13 -37.12 25.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 62' ' ' HIS . 8.9 mt-30 -78.22 -70.15 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -93.34 153.11 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -170.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -91.8 100.98 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 114' ' ' HIS . 4.4 mt -87.53 113.18 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -79.87 113.79 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 120' ' ' TRP . 74.8 m95 -79.32 90.64 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.026 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -91.94 89.72 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 118' ' ' TRP . 8.7 m95 -79.93 112.75 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.5 m -111.27 140.99 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.422 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -57.8 -45.78 85.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -63.1 -42.15 99.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -54.02 -37.65 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.83 -35.38 67.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 61.4 m -59.02 -45.1 91.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -63.09 -44.77 94.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.11 -42.11 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.93 -42.29 73.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.48 87.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -76.77 -50.63 13.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.93 67.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.83 64.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.19 -34.36 68.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 14.3 mmt -93.36 32.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -160.3 78.17 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.07 29.69 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.4 p -149.32 -50.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 10.6 mt -97.03 -177.13 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -137.78 151.85 48.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 110.305 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -79.77 120.35 23.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 94.1 m -92.7 -34.65 13.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -93.71 44.96 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.263 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.79 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -172.64 147.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 66' ' ' ILE . 59.0 t -84.69 142.09 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 27' ' ' ARG . 38.9 mt-10 -126.89 137.02 53.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.2 mt -135.79 94.91 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -98.33 106.26 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -100.38 146.85 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.441 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -160.68 97.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.14 161.42 41.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -157.94 87.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.974 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.23 136.19 33.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.288 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.17 -35.9 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.12 -152.8 8.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -170.19 76.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.82 73.54 Favored 'Cis proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -0.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.69 173.74 46.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.046 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.496 ' HA2' ' CB ' ' A' ' 141' ' ' ALA . . . -144.37 -165.22 10.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.43 163.95 36.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 36' ' ' SER . 50.7 p90 -113.28 126.54 55.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 36' ' ' SER . . . -102.59 116.12 5.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.3 102.55 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.428 HD12 ' NH2' ' A' ' 132' ' ' ARG . 79.9 mt -85.1 114.59 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -91.79 155.93 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 19.5 ttm-85 -141.77 98.84 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.73 -164.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -55.94 91.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.97 28.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -158.05 107.13 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -80.4 140.31 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -143.65 130.14 20.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 m -94.13 150.76 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -147.52 98.37 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 9.4 t -161.6 97.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.93 173.05 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.91 163.52 15.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -147.61 149.4 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.967 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -94.95 -29.84 14.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -146.29 97.34 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 t -149.34 170.14 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.3 p -123.98 170.68 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.7 -41.41 97.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 73' ' ' TYR . 14.5 m120 -59.11 -53.49 57.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -56.99 -49.11 76.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.6 mmt -61.35 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.21 -52.98 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 53' ' ' ILE . 20.1 mt -60.96 -49.84 75.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.546 ' O ' HG21 ' A' ' 54' ' ' VAL . 59.8 tpp -51.32 -35.45 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -177.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 22' ' ' TYR . . . -64.46 -55.82 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' HD12 ' A' ' 67' ' ' LEU . . . -66.31 -37.36 85.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 49' ' ' LEU . 65.4 mt -71.93 -45.9 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 50' ' ' MET . 75.3 t -63.04 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.53 83.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.06 -36.5 68.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.83 73.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -62.56 121.42 13.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -102.8 38.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.49 112.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 113' ' ' GLN . 32.3 m170 -55.77 112.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.747 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 64.7 m -147.26 175.42 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.1 138.04 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.91 130.64 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 5' ' ' VAL . 12.0 tt -116.74 112.53 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 52' ' ' ALA . 1.1 tt -93.74 145.59 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -140.01 115.57 10.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.076 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -165.9 145.95 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -92.6 38.24 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -87.4 119.88 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -80.81 -39.72 26.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' O ' ' HA3' ' A' ' 77' ' ' GLY . 15.2 t80 -57.75 -37.93 74.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.964 ' O ' HG12 ' A' ' 78' ' ' ILE . 64.6 t -81.87 -41.79 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 75.8 ttt180 -57.38 -56.99 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.917 ' O ' ' CB ' ' A' ' 80' ' ' GLN . 36.0 mt-30 -74.18 -44.9 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -53.57 -33.43 47.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 1.402 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 37.7 mm -79.8 -66.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -96.04 35.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.917 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -147.66 -53.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 178.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.631 ' HB3' ' CZ3' ' A' ' 85' ' ' TRP . 34.4 m0 -90.78 -42.98 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 1.402 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 12.7 tt -68.63 -34.64 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -50.65 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.585 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 24.7 m-80 -71.47 -30.85 66.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 1.005 ' O ' ' HA ' ' A' ' 90' ' ' TRP . 51.3 m0 -81.86 -5.78 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 107.991 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 82' ' ' ILE . 32.4 ttpt -92.33 -80.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 165.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 88' ' ' ARG . 55.2 tttm -47.89 -59.54 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -164.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 1.2 mmt180 -44.47 -97.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.57 5.17 5.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 1.005 ' HA ' ' O ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER 72.43 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.81 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 80.7 tttt -152.97 166.94 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -171.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 96' ' ' LYS . 36.0 p -73.21 142.59 47.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -173.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.52 63.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 95' ' ' LYS . 24.4 p-10 -85.8 48.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -176.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER 30.35 63.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.778 ' C ' ' HE3' ' A' ' 91' ' ' LYS . 43.2 mttm -141.09 170.41 9.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 18.3 Cg_endo -75.01 145.68 31.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.81 ' CG2' ' HA ' ' A' ' 91' ' ' LYS . 98.8 t -77.72 148.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 175.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 25.5 tptp -69.71 118.69 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 57.48 45.81 19.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.68 -40.78 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.33 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 mt -71.78 -36.22 70.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.768 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 24.2 m95 -57.11 -50.75 71.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.015 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -51.22 -47.14 62.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -59.96 -38.46 82.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.3 tp -73.83 -56.73 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.57 -43.72 76.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 113' ' ' GLN . . . -65.2 -47.0 78.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.7 98.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.9 -37.46 87.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.81 53.52 4.86 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.047 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 71.9 mm-40 -144.69 -58.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.284 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.747 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -110.58 -178.12 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.586 -178.086 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -78.59 144.43 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.4 mm -121.1 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HB3' HG13 ' A' ' 66' ' ' ILE . 12.2 tppt? -120.78 98.35 5.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 175.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.644 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 98.3 m95 -80.48 95.01 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.035 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -92.91 89.59 6.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.644 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 33.8 m95 -82.87 102.03 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.028 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.02 168.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.401 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -54.32 -40.06 67.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -58.78 -42.96 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.38 -39.81 80.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.428 ' NH2' HD12 ' A' ' 25' ' ' ILE . 34.0 ttp85 -69.44 -35.67 75.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . 0.406 ' SG ' HD11 ' A' ' 25' ' ' ILE . 74.7 m -59.07 -46.58 87.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 108.343 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.48 -43.99 89.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.86 -39.89 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.38 -50.63 69.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.98 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 142' ' ' MET . 25.5 ttm105 -65.29 -38.04 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.48 94.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.32 28.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.496 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . . . -59.8 -39.1 83.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 138' ' ' ARG . 93.3 mmm -78.63 -28.49 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.62 77.04 40.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 97.9 m -151.56 38.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mt -156.18 -164.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -142.11 153.0 43.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.38 99.69 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.3 m -94.91 84.92 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 165.27 -34.27 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 110.963 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -97.47 66.82 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -159.45 151.26 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.248 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -86.66 133.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -126.8 140.05 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.9 mt -136.24 86.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.81 102.93 14.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.6 p -82.37 149.6 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -160.5 90.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.02 158.35 29.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -155.79 124.25 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -135.23 133.94 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 108.239 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.48 -31.31 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.6 -155.63 9.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -167.14 77.94 0.99 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.02 65.13 Favored 'Cis proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -0.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.0 172.57 44.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.19 16.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.68 -157.5 10.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.98 170.24 35.36 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 22' ' ' TYR . 32.5 p90 -123.78 97.7 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 111.001 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.13 21.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.58 118.54 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -83.29 112.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 150.48 21.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -130.9 91.63 3.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -109.39 122.22 46.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 63.01 -153.77 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -171.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 28.37 4.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.6 128.26 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -88.69 140.18 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -130.03 174.75 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 m -146.57 145.74 30.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' CB ' ' A' ' 58' ' ' ALA . 38.3 m-85 -137.09 99.79 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -142.07 84.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 22' ' ' TYR . . . -90.51 -173.82 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.1 171.95 15.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -150.57 154.35 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 111.017 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.9 p -92.08 -31.47 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -155.0 111.84 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -160.18 164.78 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.8 p -101.8 168.63 9.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.65 -42.87 81.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 6.7 m120 -65.58 -44.57 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -177.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.09 -39.51 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -57.4 13.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -48.45 -45.17 36.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 14.4 mt -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.402 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 34.5 tpp -42.51 -37.43 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.23 -62.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.7 83.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.3 -58.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.32 -31.58 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -174.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -56.06 26.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.29 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.96 -38.57 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.501 ' CB ' ' CE2' ' A' ' 35' ' ' PHE . . . -55.25 -37.21 66.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.17 138.33 7.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -96.42 25.81 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.03 127.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -74.74 101.92 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 31.6 m -136.44 175.92 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.266 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.98 139.68 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 t -138.63 126.59 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.9 tt -107.35 118.17 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD11 ' CZ3' ' A' ' 118' ' ' TRP . 0.9 OUTLIER -101.61 132.8 47.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.34 128.77 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -170.01 -172.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -153.64 32.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 t -78.39 137.76 38.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -81.93 -33.85 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 45' ' ' ASN . 86.5 t80 -63.34 -39.3 94.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.15 -56.39 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -45.54 -52.41 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 38.2 mt-30 -71.94 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' TRP . . . -41.18 -33.91 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.01 -66.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -172.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.5 p -93.96 41.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -153.18 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 172.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.479 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 42.3 m0 -88.08 -38.01 15.78 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -173.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.412 HD13 ' CE3' ' A' ' 104' ' ' TRP . 57.4 mt -87.17 -31.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -57.78 -33.98 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.74 -50.66 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.479 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 39.9 m0 -51.92 -53.59 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -48.36 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -50.67 -49.37 57.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -49.38 -29.41 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.23 39.05 1.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 m95 53.29 57.08 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -135.14 -178.8 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -128.05 -53.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.84 -73.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' C ' ' HG2' ' A' ' 95' ' ' LYS . 22.0 t70 -88.09 56.27 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER 44.93 31.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.46 160.44 64.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.81 42.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 111.014 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.72 153.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -79.2 130.58 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.96 40.23 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.95 -30.79 50.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.72 -54.35 47.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.8 mt -70.9 -40.55 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.412 ' CE3' HD13 ' A' ' 82' ' ' ILE . 21.4 m95 -59.41 -52.07 67.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 107.956 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -52.2 -51.57 57.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -54.31 -34.78 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.62 -70.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.35 -46.59 47.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.77 96.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.86 88.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.43 -28.97 67.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.37 4.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -148.02 -52.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 176.66 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 -171.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -81.15 105.5 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.43 HG23 ' CD1' ' A' ' 118' ' ' TRP . 45.3 mm -81.78 134.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -128.78 95.76 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.629 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 97.7 m95 -78.33 119.53 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 -175.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -117.62 85.91 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.353 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.629 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 1.8 m95 -83.74 142.51 30.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 107.984 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -119.79 166.6 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.214 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.82 -64.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -48.61 -33.9 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.25 -56.34 23.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.251 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -56.99 -31.4 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.0 m -67.73 -49.87 60.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.261 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.46 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.99 -44.04 97.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.18 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -58.71 -35.56 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.69 83.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.05 -35.75 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.17 56.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 91.4 mmm -95.51 35.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -158.1 71.22 4.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.5 p -148.98 56.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -159.87 143.98 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -80.01 146.44 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.75 167.18 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.5 m -89.19 -75.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -149.8 38.23 0.93 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.985 179.115 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.511 0.196 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.59 113.62 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -83.45 71.46 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -162.78 151.49 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -84.14 133.11 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.01 140.2 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mt -136.02 86.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -89.92 104.25 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -91.54 142.52 27.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.37 108.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.84 53.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 p -132.85 40.26 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.006 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.8 t -86.06 117.71 25.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.73 -36.97 18.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.06 -147.93 16.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -176.6 76.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.329 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.24 53.72 Favored 'Cis proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -4.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.4 171.06 43.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.2 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.24 -159.7 8.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.73 -149.53 5.72 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 33.0 p90 -150.15 122.53 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 111.023 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.85 132.06 9.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.75 139.91 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.1 mt -93.06 111.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.94 140.67 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -123.52 100.82 7.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' CE1' HD23 ' A' ' 59' ' ' LEU . 2.2 t80 -111.67 -165.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -175.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -54.81 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.2 34.61 8.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -159.06 108.91 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.284 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.5 108.85 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.307 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -97.41 146.96 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -122.51 144.97 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -136.71 93.57 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.29 94.24 3.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.4 179.35 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 106.82 0.48 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.93 174.5 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.033 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 p -107.08 -34.34 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -152.75 106.27 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 t -160.02 165.89 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.6 p -98.81 150.11 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -57.29 -41.31 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.451 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.3 m-80 -54.88 -56.6 17.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -56.02 -48.68 75.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.9 mmt -57.13 -39.9 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.29 -45.21 91.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 9.6 mt -59.61 -48.39 81.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.422 ' HG2' ' CE1' ' A' ' 22' ' ' TYR . 42.1 tpp -53.3 -34.71 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.68 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.41 -55.18 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.0 -41.53 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.45 46.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.23 -46.66 82.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 106' ' ' ARG . 18.6 mt-10 -59.96 -42.44 94.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.59 -36.32 55.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' A' ' 28' ' ' TYR . 16.0 mt -54.58 127.13 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -97.8 27.6 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 179.18 105.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -55.68 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.04 175.12 9.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.44 136.2 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -137.03 133.78 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 tt -116.23 104.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tt -87.17 140.78 29.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -134.25 127.41 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -169.42 -170.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -156.15 31.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -82.61 138.18 34.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.91 -42.18 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.451 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 14.1 t80 -50.39 -36.56 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -84.23 -51.02 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -46.99 -56.06 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.9 -50.75 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.08 -48.68 19.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.51 -68.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -94.71 39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -166.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -51.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.456 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 41.7 m0 -86.59 -42.04 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.042 -171.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.3 mt -78.92 -33.57 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -175.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.65 -36.62 76.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.563 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -90.09 -48.1 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 47.3 m0 -57.91 -60.35 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -55.14 21.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -175.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -50.05 -56.98 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.74 -31.25 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.253 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.02 40.69 0.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.1 m95 50.96 64.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -152.97 163.57 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -90.43 -172.68 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.83 62.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -99.54 32.88 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.4 mttt 50.91 90.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -160.12 167.86 13.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.69 34.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.07 151.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -77.67 127.82 33.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t30 61.63 42.55 10.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.99 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.84 -37.08 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.414 ' CZ3' HD23 ' A' ' 49' ' ' LEU . 13.0 m95 -60.07 -54.34 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 107.974 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.94 -46.24 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.4 ' CZ ' ' OE2' ' A' ' 57' ' ' GLU . 7.9 ttt180 -53.98 -43.67 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.59 -68.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -49.03 -47.73 44.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.6 83.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.07 63.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.41 -30.07 66.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.96 54.37 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -147.56 -52.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.291 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 175.84 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 -171.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -79.82 110.47 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.9 mm -87.57 130.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -122.69 98.75 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -79.57 107.89 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.44 88.22 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.91 125.46 29.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.32 136.47 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -84.97 178.78 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.59 52.98 3.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 11.1 p-80 -151.46 -52.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.577 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 124' ' ' HIS . . . -93.91 35.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.92 149.94 43.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.408 ' CD2' ' OD1' ' A' ' 130' ' ' ASN . 0.1 OUTLIER -97.37 169.63 8.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 0.786 . . . . 0.0 109.6 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.8 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.966 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -56.62 -45.9 81.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.408 ' OD1' ' CD2' ' A' ' 127' ' ' HIS . 14.1 m120 -56.9 -45.84 82.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.24 -37.49 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.9 ttp85 -67.82 -33.51 74.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.68 -47.33 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.83 -39.89 86.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.35 -51.11 69.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.04 -41.54 88.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.26 -41.73 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.23 75.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.55 -39.03 38.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.86 67.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 20.5 mmt -95.75 33.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -160.39 72.68 2.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.39 9.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 40.2 p -148.74 38.68 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.72 -168.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.8 141.76 23.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.38 102.03 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -94.33 -40.92 9.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -91.01 49.82 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -110.1 37.97 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.68 162.78 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 58.5 t -147.47 66.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.19 -40.91 90.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 73.0 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.288 179.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -84.2 134.81 34.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -86.3 56.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -165.08 140.51 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -78.91 137.63 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -122.14 144.05 49.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.8 mt -137.54 86.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -174.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.433 ' CE1' ' OG ' ' A' ' 68' ' ' SER . 0.1 OUTLIER -100.93 105.72 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 175.221 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 p -91.48 153.95 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.69 92.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.46 144.9 20.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.36 98.08 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -108.91 137.65 46.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.9 mt -81.93 -33.18 30.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.75 -151.49 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -168.24 77.66 0.84 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.1 89.18 Favored 'Cis proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -2.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.51 41.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.9 -155.94 8.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.82 169.46 42.43 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 31.3 p90 -118.76 114.74 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 111.013 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 133.57 11.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -136.22 123.13 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.373 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.97 88.43 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 31.9 tp -91.64 106.74 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -92.96 98.0 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.22 -164.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -58.98 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -173.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.22 37.87 18.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -158.39 124.98 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -74.34 139.97 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -147.82 117.64 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.5 m -95.84 144.36 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.513 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 18.7 m-85 -128.25 88.32 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -127.05 93.3 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.89 -174.47 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.58 112.46 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -106.46 146.12 30.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 111.017 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 p -86.26 -34.9 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.372 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -147.55 105.59 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -176.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.09 166.72 29.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -104.38 165.58 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 m120 -54.49 -45.04 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -176.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 -60.12 -53.28 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -36.83 53.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.12 -68.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' CH2' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -48.13 -35.84 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.479 ' HG2' ' CG ' ' A' ' 22' ' ' TYR . 2.4 ttm -58.88 -62.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.09 -39.45 13.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.47 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.38 -61.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.3 t -49.22 -45.74 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -171.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.56 88.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.62 -33.03 72.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.26 -48.67 72.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.29 -38.99 55.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 114' ' ' HIS . 8.3 mt -61.83 97.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -96.18 46.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.43 155.15 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.454 ' CE1' ' NE2' ' A' ' 113' ' ' GLN . 9.3 m-70 -80.05 109.84 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.4 m -150.74 174.8 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.261 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.91 169.3 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -152.7 135.99 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.3 tp -113.05 110.19 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.9 148.54 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -173.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' OG ' ' CE1' ' A' ' 8' ' ' PHE . 7.4 t -145.24 116.25 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -166.58 -170.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.399 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.15 34.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 t -84.69 116.27 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -58.88 -37.9 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.469 ' CD2' ' HB3' ' A' ' 45' ' ' ASN . 18.7 t80 -54.45 -43.27 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.15 -53.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -47.88 -55.84 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -176.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 33.8 mt-30 -69.05 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 81' ' ' TRP . . . -41.87 -34.24 1.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.9 mm -82.63 -69.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 p -93.98 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -152.5 -51.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 173.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.46 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 39.7 m0 -90.8 -41.14 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.032 -172.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.4 HD13 ' CE3' ' A' ' 104' ' ' TRP . 45.1 mt -82.66 -31.51 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -59.39 -34.87 72.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.558 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 -49.11 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' CG1' ' A' ' 98' ' ' VAL . 40.4 m0 -53.85 -56.06 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -49.61 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -174.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -50.79 -52.44 41.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -50.03 -28.77 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.61 37.1 1.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.2 m95 50.62 60.36 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -153.13 155.32 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.2 p -95.51 -170.84 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.18 88.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.01 34.66 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -177.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 pttt 44.35 36.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -95.9 168.21 11.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.21 41.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG1' ' CZ3' ' A' ' 85' ' ' TRP . 48.4 t -82.87 150.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.43 121.47 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.57 41.94 14.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.92 -31.31 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.31 -53.83 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.311 -175.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.63 -44.01 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.457 ' CH2' ' CD1' ' A' ' 49' ' ' LEU . 69.2 m95 -49.89 -57.42 7.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 107.985 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -48.99 -51.61 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -54.63 -37.45 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.84 -31.09 64.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.26 -60.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.37 -33.81 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.45 -34.76 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.05 -29.5 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 172.47 52.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.454 ' NE2' ' CE1' ' A' ' 62' ' ' HIS . 3.3 mm100 63.39 11.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.409 ' CE1' HD11 ' A' ' 59' ' ' LEU . 9.7 m-70 -139.86 116.48 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -169.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -79.44 88.39 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 163.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.8 mt -89.4 107.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -171.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -84.56 102.02 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.624 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 87.2 m95 -78.25 98.66 5.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -94.63 91.74 6.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.624 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 54.2 m95 -79.46 105.88 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.049 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.86 -178.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -85.85 133.92 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.48 -40.47 59.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -78.25 -56.07 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.59 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -91.38 51.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . -71.74 -113.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.434 ' CG ' ' C ' ' A' ' 126' ' ' GLY . 0.0 OUTLIER -155.71 167.74 13.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.615 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.3 6.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -59.74 -56.74 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -55.58 -36.24 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.12 -35.08 80.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -66.78 -49.51 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.75 -28.33 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.296 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.37 -40.03 89.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.74 -39.13 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.08 -43.88 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.4 94.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -64.05 -39.33 93.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.97 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.72 81.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.13 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 25.9 mmt -79.47 -25.4 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -144.26 78.36 13.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.3 m -156.78 -49.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 20.2 mt -81.47 -168.48 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -149.53 158.47 44.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.59 97.69 5.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.5 m -87.42 -42.22 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -92.18 49.57 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -104.72 147.71 27.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 111.039 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -146.92 -81.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 47.6 t 60.39 60.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -155.71 165.4 36.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.25 1.11 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.316 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.496 0.188 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 136.78 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -84.57 64.8 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.1 128.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 t -81.47 131.3 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -112.54 101.56 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.7 mt -104.14 121.23 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -129.47 107.22 9.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -86.81 148.0 25.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -160.25 97.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 140.36 42.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.065 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -108.81 36.35 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.011 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.32 111.65 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 108.296 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.17 -41.06 20.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.98 -148.71 23.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -175.49 76.98 0.3 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.278 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.0 41.0 Favored 'Cis proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -6.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.97 174.14 46.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.29 -152.69 5.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.87 -150.16 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 16.4 p90 -146.58 133.12 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 111.001 177.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.07 123.8 4.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.76 124.09 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.0 mt -80.58 118.05 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD2' ' CE2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -122.42 94.41 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -78.98 124.27 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -114.88 -165.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -55.79 97.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -171.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.33 34.27 18.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -158.99 116.99 2.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.29 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.96 108.43 10.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.45 113.31 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -101.47 141.74 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 14.9 m-85 -126.22 94.61 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.994 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 t -131.82 81.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.73 151.81 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 156.61 15.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -135.92 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.983 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -85.65 -35.86 20.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -164.51 114.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.91 163.3 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 p -92.05 172.85 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -77.4 -43.12 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.456 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.1 m-80 -57.92 -53.21 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -56.54 -42.02 77.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.5 mmt -73.03 -35.54 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.2 -46.74 75.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' CZ2' ' A' ' 104' ' ' TRP . 10.4 mt -59.27 -56.83 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.465 ' CG ' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -47.51 -38.2 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.31 -59.63 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.64 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.62 -57.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 22' ' ' TYR . 53.4 t -52.23 -38.87 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -48.2 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.33 -33.85 65.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 37.6 mt-10 -55.32 -49.88 71.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -52.77 -38.68 61.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 114' ' ' HIS . 33.6 mt -71.29 133.99 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 173.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -141.4 52.67 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -175.39 170.67 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.18 76.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -161.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -168.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -141.64 107.3 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 172.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -107.07 135.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -167.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 tp -114.2 96.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tt -85.83 141.01 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 t -136.02 121.0 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -160.36 175.32 12.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -138.19 31.99 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -80.34 116.46 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.26 -33.82 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 18.5 t80 -58.46 -42.03 86.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.54 -42.5 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.36 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -46.32 -57.85 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.25 -44.7 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.26 -54.12 13.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 47.9 mm -68.28 -70.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.58 0.812 . . . . 0.0 109.312 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -94.99 40.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -164.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -159.48 -52.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.458 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 45.8 m0 -81.97 -43.63 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.054 -170.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -75.69 -35.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -58.39 -40.35 82.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.3 -45.7 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.458 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 50.1 m0 -60.99 -58.13 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.019 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.34 -57.6 10.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -52.07 -52.51 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -53.47 -32.23 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.33 43.82 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.6 m95 56.51 78.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 85' ' ' TRP . 65.8 mttt -145.93 -169.69 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.6 p -132.79 -61.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -157.25 -72.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -96.16 45.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.3 mttt 59.02 90.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -151.2 162.01 28.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 110.965 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.0 156.64 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -79.57 132.13 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 58.56 38.87 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.57 -34.81 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -56.02 -48.79 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -73.34 -32.73 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.413 ' CZ2' HD13 ' A' ' 49' ' ' LEU . 69.7 m95 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -54.44 -48.15 72.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 10.4 ttt180 -57.62 -38.46 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.68 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.51 -47.89 48.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -172.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.31 86.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.05 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.47 -23.56 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.36 47.5 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -137.64 -50.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -107.06 163.37 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -168.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -78.57 106.73 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 48.2 mm -81.4 110.83 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -98.35 103.82 15.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -77.8 92.02 4.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -97.35 89.1 4.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -83.32 121.2 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.2 m -86.01 171.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -174.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.32 67.4 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.67 89.38 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 125' ' ' ALA . 38.5 p-80 -150.84 -55.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 174.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.416 ' N ' ' CD2' ' A' ' 124' ' ' HIS . . . -98.51 27.0 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.477 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . 46.68 -165.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.477 ' CG ' ' C ' ' A' ' 126' ' ' GLY . 0.0 OUTLIER -158.05 169.09 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.638 176.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.72 5.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -67.18 -53.03 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -64.01 -36.16 83.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -55.05 -45.25 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -65.8 -37.33 85.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 56.9 m -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 108.296 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -59.1 -42.37 90.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.7 -48.25 78.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -58.81 -42.23 88.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.35 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -56.74 -43.06 80.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.71 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.79 56.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.24 -32.65 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 15.0 mmt -94.28 36.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -155.69 67.96 4.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -9.17 20.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 p -95.8 88.97 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.93 -170.14 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.33 113.07 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -81.99 88.56 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -100.72 -41.62 6.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -56.69 -49.1 72.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -103.37 102.09 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -155.89 159.22 39.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 57.9 t -85.71 64.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -79.17 -69.03 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.287 -179.711 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.492 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 64.33 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -126.5 58.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -152.25 150.26 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.96 116.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.51 105.85 12.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -164.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.73 78.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -170.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.73 104.96 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.4 p -100.72 150.03 23.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -160.2 124.44 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 174.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.58 145.99 16.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -161.39 127.92 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.7 t -114.4 148.62 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 108.297 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.46 64.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -176.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.63 -143.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -170.71 78.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -66.7 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 5.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 173.01 22.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.043 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 152.21 50.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -172.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.45 116.7 5.3 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -104.24 120.43 41.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -176.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -140.09 111.32 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.83 98.29 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.89 102.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -101.29 96.64 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.67 102.02 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.41 174.91 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -49.52 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.7 32.32 24.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -149.16 87.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.81 109.66 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -117.09 131.81 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 37.2 m -96.57 145.41 25.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.471 ' CE2' ' CB ' ' A' ' 58' ' ' ALA . 21.8 m-85 -141.26 90.71 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -151.14 70.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -171.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.57 -168.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 127.27 2.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.64 174.68 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 111.001 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -99.36 -46.14 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.22 92.11 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -172.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 t -162.55 143.03 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -82.58 173.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.33 -38.82 71.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -54.93 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -178.469 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 151' ' ' TYR . 15.2 ptm180 -61.5 -28.94 69.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.3 mmt -53.63 -63.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.29 -38.41 65.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 1.3 mt -51.64 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.1 ptp -64.92 -24.11 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -172.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . . . -52.06 -59.06 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 174.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.2 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 mt -55.96 -60.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.7 t -59.79 -26.71 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.12 -52.9 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.38 -34.04 73.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -80.32 -32.01 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' CB ' ' CE2' ' A' ' 35' ' ' PHE . . . -57.9 -42.12 84.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 pp -57.29 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -158.58 31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -156.12 111.88 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.43 84.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 12.4 m -141.82 162.1 36.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -165.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -46.52 130.6 11.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.24 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 114' ' ' HIS . 49.3 t -135.32 131.23 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 tt -99.43 145.47 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 HD11 ' CZ3' ' A' ' 118' ' ' TRP . 0.4 OUTLIER -131.73 90.97 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -172.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 m -80.91 105.45 12.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -142.59 169.59 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.63 46.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -100.61 146.58 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.67 -34.27 40.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.467 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 12.9 t80 -70.48 -47.41 60.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -68.97 -57.23 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -47.13 -47.52 23.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.54 -56.98 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.69 -40.73 18.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.484 ' CD1' ' CH2' ' A' ' 118' ' ' TRP . 22.6 mt -79.85 -69.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.1 p -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.62 -48.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -90.41 -58.79 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.429 HD13 ' CZ3' ' A' ' 104' ' ' TRP . 13.5 mt -56.99 -35.2 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -167.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -57.69 -38.95 76.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.61 -44.33 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -58.92 -46.73 87.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -57.18 -60.88 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.96 -44.56 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -50.66 -30.5 13.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.49 38.46 1.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.9 m95 57.52 47.06 16.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -142.34 142.97 32.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 p -93.26 -34.6 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.74 -163.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.59 90.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 66.02 58.91 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -133.29 155.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.0 t -100.29 149.06 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.92 125.34 27.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 58.96 53.3 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.245 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.1 -38.43 71.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.65 -56.24 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.07 -40.3 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CZ3' HD13 ' A' ' 82' ' ' ILE . 7.0 m95 -59.21 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -52.94 -41.47 64.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.08 -34.71 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -59.51 5.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 173.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.98 -46.8 76.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -171.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.2 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.95 -36.92 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.06 -32.35 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.61 52.2 2.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -174.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.0 -53.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.312 169.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 1.3 p-80 -125.66 -178.04 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -89.63 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 173.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.456 ' O ' ' CD1' ' A' ' 118' ' ' TRP . 4.0 mp -87.89 92.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 174.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -83.79 106.89 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.484 ' CH2' ' CD1' ' A' ' 78' ' ' ILE . 36.3 m95 -84.06 97.78 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 -171.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.95 102.4 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.432 ' CZ2' ' CB ' ' A' ' 118' ' ' TRP . 16.5 m95 -84.76 110.03 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.8 m -100.54 154.46 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -155.38 67.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.94 -55.76 4.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.23 -53.48 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.643 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.89 56.69 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.435 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . -98.62 157.86 20.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.49 ' CD2' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -157.08 170.4 9.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 0.0 109.58 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.09 6.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 110.969 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.38 -45.09 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -54.46 -44.35 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.96 -38.44 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -67.9 -35.03 77.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 39.2 m -61.95 -50.72 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.88 -47.34 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.76 -42.36 71.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.23 -38.85 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -34.33 66.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.35 80.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.0 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.31 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.91 35.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -161.2 80.87 2.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 36.3 p -150.37 -56.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.42 178.99 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.03 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -88.3 133.78 33.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 14.3 t -101.12 41.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.68 -45.68 0.59 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . 0.483 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 3.0 m-30 -94.47 179.14 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 110.986 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 62.17 33.64 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 23.3 m -151.72 43.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.44 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.956 -1.497 . . . . 0.0 109.27 -179.446 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.466 0.174 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 mt -83.8 133.12 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -84.17 64.02 8.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -160.04 -178.64 7.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -87.75 131.68 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -125.44 138.9 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.0 mt -132.84 103.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.72 104.2 14.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.0 p -90.94 143.34 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.415 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -160.3 97.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.36 162.65 33.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.2 p -152.67 91.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.42 130.91 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.288 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.2 -43.18 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.7 -146.48 15.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.107 . . . . 0.0 110.983 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -176.38 76.35 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.31 68.77 Favored 'Cis proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -2.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.41 173.54 43.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.46 -164.19 9.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 177.73 35.7 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' TYR . 31.2 p90 -123.99 98.72 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.85 121.33 6.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.64 135.0 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.1 mt -88.64 158.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 35' ' ' PHE . 7.2 tp -135.61 153.17 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -135.39 90.21 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' CE1' HD23 ' A' ' 59' ' ' LEU . 1.9 t80 -113.13 124.07 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 63.56 -154.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.35 30.62 4.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -140.12 133.04 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 110.277 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -87.9 144.35 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -131.76 178.23 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 47.6 m -151.79 154.07 35.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 58' ' ' ALA . 24.0 m-85 -140.04 93.72 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -135.35 86.11 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.18 -175.86 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.71 120.38 2.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -101.48 155.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.021 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.4 p -83.58 -47.18 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -142.54 109.53 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.18 164.42 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -98.68 176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.12 -41.76 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.471 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.4 m-80 -53.89 -59.9 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -52.62 -38.67 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -54.9 37.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.68 -45.16 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.4 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.3 tpp -54.36 -33.33 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.85 -51.03 44.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.86 87.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.2 mt -68.59 -59.75 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -52.64 -43.02 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.13 -46.54 90.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 24.0 mt-10 -56.84 -40.18 75.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -56.89 -36.34 70.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' CE1' ' A' ' 28' ' ' TYR . 36.4 mt -54.85 128.33 32.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -99.11 26.92 5.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 178.86 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -55.88 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 56.1 m -131.01 174.74 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.268 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -46.28 135.23 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.7 t -137.28 133.71 46.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -117.37 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.65 140.55 33.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -132.5 123.34 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -169.38 -169.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -159.65 34.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -80.79 136.98 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -72.56 -38.26 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.471 ' CD1' ' OD1' ' A' ' 45' ' ' ASN . 12.8 t80 -56.16 -39.43 72.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.62 -49.34 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -47.73 -57.79 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.64 -50.71 19.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' HA2' ' CE3' ' A' ' 81' ' ' TRP . . . -47.43 -43.43 20.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 36.5 mm -76.36 -72.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 p -67.06 -29.04 68.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -167.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -58.0 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 -168.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.41 ' CE3' ' HA2' ' A' ' 77' ' ' GLY . 51.2 m0 -77.43 -44.67 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -165.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.1 tt -49.76 -35.22 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -172.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -58.32 -72.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -57.36 -38.98 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -57.96 -63.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -55.35 -55.64 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -50.66 -52.67 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -51.74 -31.05 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.42 41.71 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.3 m95 56.52 47.73 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -150.11 -179.34 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.7 p -91.12 -171.86 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.92 -36.09 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.9 32.93 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mttt 50.99 90.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -160.06 168.15 12.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.72 28.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.67 151.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -76.87 130.11 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 59.78 38.93 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.44 -40.15 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.37 -49.87 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.16 -35.6 81.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -61.21 -56.07 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -48.75 -49.25 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 9.1 ttt180 -54.11 -39.04 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.2 tp -72.02 -67.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.2 -43.64 42.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.13 89.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.11 75.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -57.95 -32.35 67.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.77 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -148.55 -52.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 176.2 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.618 -173.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -79.92 109.8 14.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.402 HG23 ' CD1' ' A' ' 118' ' ' TRP . 47.6 mm -86.02 132.06 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -126.74 99.24 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.402 ' CD1' HG23 ' A' ' 116' ' ' ILE . 99.2 m95 -79.89 111.2 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.01 87.25 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -79.93 115.5 19.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.85 159.46 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.33 136.72 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.17 78.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.425 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 33.0 p-80 -71.11 -52.74 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' CG ' ' A' ' 124' ' ' HIS . . . -90.56 53.64 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -92.76 176.31 37.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 168.4 10.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.569 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -35.51 3.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.0 -41.07 77.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.17 -44.16 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -57.48 -39.15 75.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -67.05 -34.66 78.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.79 -52.39 65.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.263 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.43 -41.39 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -52.18 -45.17 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.89 -40.16 79.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.64 76.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.9 ttm105 -66.86 -49.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.72 88.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.16 -37.21 69.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.49 69.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 32.5 tpp -94.93 35.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -160.23 77.25 2.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 85.6 m -104.8 -34.45 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.42 -168.08 2.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -177.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -139.62 155.43 47.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.36 123.13 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.0 m -53.44 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.83 39.14 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -47.8 133.35 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -156.02 137.46 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.35 65.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.38 -45.6 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.989 -1.481 . . . . 0.0 109.271 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.555 0.217 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.6 mt -82.91 108.69 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -84.15 60.63 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -165.19 154.53 12.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 t -79.96 133.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -120.31 142.03 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.7 mt -134.94 101.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.439 ' CD2' ' OG ' ' A' ' 68' ' ' SER . 79.4 m-85 -101.7 103.21 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -87.61 142.54 27.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.383 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -160.37 90.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 172.99 53.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 t -157.17 109.64 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.945 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 p -132.09 151.05 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.43 -53.7 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.36 100.23 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 9.6 t30 53.66 90.1 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 -78.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -5.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.95 79.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.62 5.72 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.74 -150.18 9.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.02 -174.16 22.4 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 22' ' ' TYR . 32.1 p90 -122.75 99.79 6.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 111.02 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.34 104.33 2.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.72 114.65 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.306 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.0 mt -92.92 102.03 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -101.2 119.51 38.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -177.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -101.59 125.82 48.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -105.44 -164.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -53.54 96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.02 42.11 15.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -158.67 110.13 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.3 143.33 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -140.34 146.54 38.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 m -110.39 143.35 40.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 7.0 m-85 -144.16 89.24 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -151.61 95.98 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.045 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.16 -171.63 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.41 114.03 2.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -104.42 129.43 52.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 111.021 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.9 p -78.63 -25.4 45.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -173.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -146.02 107.17 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 164.7 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -114.49 -166.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.11 -55.1 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -52.73 -38.22 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -177.518 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -65.38 -60.37 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.5 mmt -55.93 -45.3 78.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -51.3 -53.48 35.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 104' ' ' TRP . 14.2 mt -59.54 -53.29 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.8 tpp -48.23 -40.99 26.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.18 -68.87 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.15 77.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.48 -59.52 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -46.72 -41.64 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.09 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.18 -42.68 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -55.99 -43.77 77.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.23 54.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.57 102.58 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -100.89 54.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -176.52 156.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' A' ' 113' ' ' GLN . 2.6 m-70 -80.43 112.21 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 114' ' ' HIS . 24.0 m -143.28 -146.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 -178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -123.89 165.93 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -152.97 149.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 tt -130.25 99.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.11 134.71 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.439 ' OG ' ' CD2' ' A' ' 8' ' ' PHE . 9.5 p -124.71 124.73 42.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.3 t -166.83 -169.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.75 32.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -90.35 105.44 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -55.23 -34.29 63.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 45' ' ' ASN . 3.9 t80 -52.66 -43.19 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.88 -53.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 69.4 ttt180 -45.12 -46.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -69.1 -67.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.416 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -43.69 -37.41 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 13.5 mm -67.9 -75.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -69.12 -28.71 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -168.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -66.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.416 ' CG ' ' HA2' ' A' ' 77' ' ' GLY . 50.5 m0 -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 107.997 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.5 tt -49.53 -35.97 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -59.07 -72.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -56.57 -39.64 73.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -58.08 -72.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -52.93 39.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -48.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -49.64 -29.27 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.6 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.1 m95 52.74 47.78 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -150.54 179.91 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.5 p -93.36 -172.46 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.77 42.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 95' ' ' LYS . 4.4 p-10 -97.24 39.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' ASP . 49.9 pttt 38.97 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -148.34 166.37 15.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.88 29.55 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.97 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.3 t -85.94 150.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -76.19 128.34 34.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 60.51 39.44 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.24 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.72 -47.17 87.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.7 -38.72 80.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.411 ' CE2' HD13 ' A' ' 49' ' ' LEU . 16.6 m95 -62.7 -47.74 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.019 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.26 -55.67 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.08 -38.71 65.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.402 HD21 ' CZ3' ' A' ' 104' ' ' TRP . 21.3 tp -62.74 -42.19 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.42 -56.0 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.27 -40.43 71.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 114' ' ' HIS . . . -68.21 -31.21 70.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.63 -10.43 59.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.13 -37.12 25.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 62' ' ' HIS . 8.9 mt-30 -78.22 -70.15 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -93.34 153.11 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -170.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -91.8 100.98 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 114' ' ' HIS . 4.4 mt -87.53 113.18 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -79.87 113.79 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 120' ' ' TRP . 74.8 m95 -79.32 90.64 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.026 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -91.94 89.72 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 118' ' ' TRP . 8.7 m95 -79.93 112.75 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.5 m -111.27 140.99 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -85.49 174.0 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.45 -36.5 63.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -59.13 -40.96 87.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.63 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -90.34 53.08 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.88 120.85 6.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.83 168.57 10.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.583 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -57.8 -45.78 85.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -63.1 -42.15 99.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -54.02 -37.65 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.83 -35.38 67.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 61.4 m -59.02 -45.1 91.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -63.09 -44.77 94.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.11 -42.11 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.93 -42.29 73.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.48 87.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -76.77 -50.63 13.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.93 67.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.83 64.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.19 -34.36 68.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 14.3 mmt -93.36 32.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -160.3 78.17 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.07 29.69 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.4 p -149.32 -50.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 10.6 mt -97.03 -177.13 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -137.78 151.85 48.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 110.305 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -79.77 120.35 23.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 94.1 m -92.7 -34.65 13.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -93.71 44.96 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -109.67 104.12 13.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -155.95 106.94 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.94 68.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.2 -69.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.041 -1.456 . . . . 0.0 109.294 179.777 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.531 0.205 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.5 135.08 34.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.79 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -172.64 147.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 66' ' ' ILE . 59.0 t -84.69 142.09 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 27' ' ' ARG . 38.9 mt-10 -126.89 137.02 53.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.2 mt -135.79 94.91 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -98.33 106.26 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -100.38 146.85 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.441 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -160.68 97.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.14 161.42 41.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -157.94 87.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.974 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.23 136.19 33.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.288 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.17 -35.9 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.12 -152.8 8.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -170.19 76.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.82 73.54 Favored 'Cis proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -0.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.69 173.74 46.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.046 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.496 ' HA2' ' CB ' ' A' ' 141' ' ' ALA . . . -144.37 -165.22 10.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.43 163.95 36.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' ' 36' ' ' SER . 50.7 p90 -113.28 126.54 55.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 36' ' ' SER . . . -102.59 116.12 5.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.3 102.55 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.428 HD12 ' NH2' ' A' ' 132' ' ' ARG . 79.9 mt -85.1 114.59 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -91.79 155.93 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 19.5 ttm-85 -141.77 98.84 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.73 -164.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -55.94 91.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.97 28.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -158.05 107.13 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -80.4 140.31 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -143.65 130.14 20.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 m -94.13 150.76 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -147.52 98.37 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 9.4 t -161.6 97.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.93 173.05 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.91 163.52 15.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -147.61 149.4 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.967 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.6 p -94.95 -29.84 14.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -146.29 97.34 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 t -149.34 170.14 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.3 p -123.98 170.68 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.7 -41.41 97.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 73' ' ' TYR . 14.5 m120 -59.11 -53.49 57.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -56.99 -49.11 76.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.6 mmt -61.35 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.21 -52.98 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 53' ' ' ILE . 20.1 mt -60.96 -49.84 75.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.546 ' O ' HG21 ' A' ' 54' ' ' VAL . 59.8 tpp -51.32 -35.45 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -177.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 22' ' ' TYR . . . -64.46 -55.82 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' HD12 ' A' ' 67' ' ' LEU . . . -66.31 -37.36 85.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 49' ' ' LEU . 65.4 mt -71.93 -45.9 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 50' ' ' MET . 75.3 t -63.04 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.53 83.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.2 mt -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.06 -36.5 68.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.83 73.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -62.56 121.42 13.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -102.8 38.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.49 112.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 113' ' ' GLN . 32.3 m170 -55.77 112.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.747 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 64.7 m -147.26 175.42 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.1 138.04 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 72.2 t -131.91 130.64 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 5' ' ' VAL . 12.0 tt -116.74 112.53 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 52' ' ' ALA . 1.1 tt -93.74 145.59 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -140.01 115.57 10.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.076 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -165.9 145.95 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -92.6 38.24 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -87.4 119.88 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -80.81 -39.72 26.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' O ' ' HA3' ' A' ' 77' ' ' GLY . 15.2 t80 -57.75 -37.93 74.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.964 ' O ' HG12 ' A' ' 78' ' ' ILE . 64.6 t -81.87 -41.79 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 75.8 ttt180 -57.38 -56.99 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.917 ' O ' ' CB ' ' A' ' 80' ' ' GLN . 36.0 mt-30 -74.18 -44.9 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -53.57 -33.43 47.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 1.402 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 37.7 mm -79.8 -66.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -96.04 35.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.917 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -147.66 -53.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 178.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.631 ' HB3' ' CZ3' ' A' ' 85' ' ' TRP . 34.4 m0 -90.78 -42.98 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 1.402 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 12.7 tt -68.63 -34.64 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -50.65 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.585 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 24.7 m-80 -71.47 -30.85 66.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 1.005 ' O ' ' HA ' ' A' ' 90' ' ' TRP . 51.3 m0 -81.86 -5.78 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 107.991 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 82' ' ' ILE . 32.4 ttpt -92.33 -80.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 165.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 88' ' ' ARG . 55.2 tttm -47.89 -59.54 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -164.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 1.2 mmt180 -44.47 -97.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.57 5.17 5.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 1.005 ' HA ' ' O ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER 72.43 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.81 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 80.7 tttt -152.97 166.94 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -171.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 96' ' ' LYS . 36.0 p -73.21 142.59 47.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -173.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.52 63.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 95' ' ' LYS . 24.4 p-10 -85.8 48.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -176.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER 30.35 63.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.778 ' C ' ' HE3' ' A' ' 91' ' ' LYS . 43.2 mttm -141.09 170.41 9.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 18.3 Cg_endo -75.01 145.68 31.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.81 ' CG2' ' HA ' ' A' ' 91' ' ' LYS . 98.8 t -77.72 148.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 175.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 25.5 tptp -69.71 118.69 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 57.48 45.81 19.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.68 -40.78 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.33 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 mt -71.78 -36.22 70.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.768 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 24.2 m95 -57.11 -50.75 71.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.015 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -51.22 -47.14 62.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -59.96 -38.46 82.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.3 tp -73.83 -56.73 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.57 -43.72 76.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 113' ' ' GLN . . . -65.2 -47.0 78.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.7 98.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.9 -37.46 87.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.81 53.52 4.86 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.047 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 71.9 mm-40 -144.69 -58.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.284 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.747 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -110.58 -178.12 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.586 -178.086 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -78.59 144.43 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.4 mm -121.1 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HB3' HG13 ' A' ' 66' ' ' ILE . 12.2 tppt? -120.78 98.35 5.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 175.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.644 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 98.3 m95 -80.48 95.01 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.035 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -92.91 89.59 6.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.644 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 33.8 m95 -82.87 102.03 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.028 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.02 168.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -82.77 130.29 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.21 94.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -75.58 -56.36 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.578 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -90.26 52.24 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -95.69 -167.61 35.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.23 167.98 11.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.627 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.84 5.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -54.32 -40.06 67.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -58.78 -42.96 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.38 -39.81 80.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.428 ' NH2' HD12 ' A' ' 25' ' ' ILE . 34.0 ttp85 -69.44 -35.67 75.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . 0.406 ' SG ' HD11 ' A' ' 25' ' ' ILE . 74.7 m -59.07 -46.58 87.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 108.343 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.48 -43.99 89.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.86 -39.89 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.38 -50.63 69.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.98 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 142' ' ' MET . 25.5 ttm105 -65.29 -38.04 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.48 94.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.32 28.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.496 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . . . -59.8 -39.1 83.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 138' ' ' ARG . 93.3 mmm -78.63 -28.49 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.62 77.04 40.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 97.9 m -151.56 38.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mt -156.18 -164.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -142.11 153.0 43.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.38 99.69 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.3 m -94.91 84.92 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 165.27 -34.27 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -100.77 107.99 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 110.963 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -154.51 167.28 30.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.84 63.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -155.73 -58.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 80.6 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 117.034 -1.46 . . . . 0.0 109.301 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.519 0.2 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt -84.85 109.45 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -97.47 66.82 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -159.45 151.26 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.248 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -86.66 133.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -126.8 140.05 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.9 mt -136.24 86.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.81 102.93 14.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.6 p -82.37 149.6 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -160.5 90.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.02 158.35 29.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -155.79 124.25 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -135.23 133.94 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 108.239 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.48 -31.31 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.6 -155.63 9.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -167.14 77.94 0.99 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.02 65.13 Favored 'Cis proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -0.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.0 172.57 44.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.19 16.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.68 -157.5 10.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.98 170.24 35.36 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 22' ' ' TYR . 32.5 p90 -123.78 97.7 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 111.001 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.13 21.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.58 118.54 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -83.29 112.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 150.48 21.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -130.9 91.63 3.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -109.39 122.22 46.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 63.01 -153.77 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -171.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 28.37 4.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.6 128.26 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -88.69 140.18 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -130.03 174.75 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 m -146.57 145.74 30.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' CB ' ' A' ' 58' ' ' ALA . 38.3 m-85 -137.09 99.79 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -142.07 84.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 22' ' ' TYR . . . -90.51 -173.82 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.1 171.95 15.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -150.57 154.35 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 111.017 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.9 p -92.08 -31.47 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -155.0 111.84 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -160.18 164.78 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.8 p -101.8 168.63 9.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.65 -42.87 81.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 6.7 m120 -65.58 -44.57 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -177.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.09 -39.51 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -57.4 13.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -48.45 -45.17 36.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 14.4 mt -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.402 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 34.5 tpp -42.51 -37.43 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.23 -62.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.7 83.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.3 -58.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.32 -31.58 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -174.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -56.06 26.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.29 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.96 -38.57 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.501 ' CB ' ' CE2' ' A' ' 35' ' ' PHE . . . -55.25 -37.21 66.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.17 138.33 7.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -96.42 25.81 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.03 127.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -74.74 101.92 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 31.6 m -136.44 175.92 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.266 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.98 139.68 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 t -138.63 126.59 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.9 tt -107.35 118.17 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 173.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD11 ' CZ3' ' A' ' 118' ' ' TRP . 0.9 OUTLIER -101.61 132.8 47.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.34 128.77 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -170.01 -172.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -153.64 32.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 t -78.39 137.76 38.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -81.93 -33.85 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 45' ' ' ASN . 86.5 t80 -63.34 -39.3 94.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.15 -56.39 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -45.54 -52.41 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 38.2 mt-30 -71.94 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' TRP . . . -41.18 -33.91 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.01 -66.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -172.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.5 p -93.96 41.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -153.18 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 172.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.479 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 42.3 m0 -88.08 -38.01 15.78 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -173.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.412 HD13 ' CE3' ' A' ' 104' ' ' TRP . 57.4 mt -87.17 -31.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -57.78 -33.98 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.74 -50.66 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.479 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 39.9 m0 -51.92 -53.59 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -48.36 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -50.67 -49.37 57.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -49.38 -29.41 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.23 39.05 1.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 m95 53.29 57.08 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -135.14 -178.8 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -128.05 -53.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.84 -73.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' C ' ' HG2' ' A' ' 95' ' ' LYS . 22.0 t70 -88.09 56.27 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER 44.93 31.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.46 160.44 64.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.81 42.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 111.014 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.72 153.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -79.2 130.58 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.96 40.23 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.95 -30.79 50.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.72 -54.35 47.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.8 mt -70.9 -40.55 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.412 ' CE3' HD13 ' A' ' 82' ' ' ILE . 21.4 m95 -59.41 -52.07 67.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 107.956 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -52.2 -51.57 57.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -54.31 -34.78 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.62 -70.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.35 -46.59 47.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.77 96.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.86 88.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.43 -28.97 67.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.37 4.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -148.02 -52.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 176.66 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 -171.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -81.15 105.5 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.43 HG23 ' CD1' ' A' ' 118' ' ' TRP . 45.3 mm -81.78 134.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -128.78 95.76 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.629 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 97.7 m95 -78.33 119.53 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 -175.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -117.62 85.91 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.353 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.629 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 1.8 m95 -83.74 142.51 30.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 107.984 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER -119.79 166.6 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 174.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 124' ' ' HIS . 55.5 mmtt -79.26 32.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 121' ' ' VAL . . . -57.96 85.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 -161.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 122' ' ' LYS . 5.5 p-80 -106.79 -34.86 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.563 167.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.51 -116.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 161.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.24 136.29 2.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -83.94 169.56 16.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.636 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.49 9.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.82 -64.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -48.61 -33.9 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.25 -56.34 23.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.251 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -56.99 -31.4 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.0 m -67.73 -49.87 60.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.261 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.46 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.99 -44.04 97.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.18 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -58.71 -35.56 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.69 83.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.05 -35.75 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.17 56.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 91.4 mmm -95.51 35.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -158.1 71.22 4.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.5 p -148.98 56.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -159.87 143.98 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -80.01 146.44 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.75 167.18 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.5 m -89.19 -75.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -149.8 38.23 0.93 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -54.92 107.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.985 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -156.01 163.2 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 58.7 t -147.53 66.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.58 -53.92 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.986 -1.483 . . . . 0.0 109.342 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -83.45 71.46 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.78 151.49 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 66' ' ' ILE . 5.6 t -84.14 133.11 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.01 140.2 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.445 HD12 HG11 ' A' ' 65' ' ' VAL . 50.7 mt -136.02 86.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -89.92 104.25 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -91.54 142.52 27.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.37 108.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.84 53.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 3.1 p -132.85 40.26 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.006 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.8 t -86.06 117.71 25.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.73 -36.97 18.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.06 -147.93 16.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -176.6 76.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.329 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.24 53.72 Favored 'Cis proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -4.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.4 171.06 43.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.2 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.24 -159.7 8.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.73 -149.53 5.72 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p90 -150.15 122.53 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 111.023 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.85 132.06 9.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -140.75 139.91 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.1 mt -93.06 111.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.647 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -94.94 140.67 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.022 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -123.52 100.82 7.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -111.67 -165.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -175.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -54.81 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.2 34.61 8.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -159.06 108.91 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.284 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.5 108.85 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.307 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -97.41 146.96 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -122.51 144.97 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 58' ' ' ALA . 35.7 m-85 -136.71 93.57 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.29 94.24 3.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . . . -89.4 179.35 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 106.82 0.48 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.93 174.5 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.033 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 p -107.08 -34.34 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -152.75 106.27 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.448 HG21 ' SD ' ' A' ' 47' ' ' MET . 2.1 t -160.02 165.89 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.6 p -98.81 150.11 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -57.29 -41.31 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CD1' ' A' ' 73' ' ' TYR . 3.3 m120 -54.88 -56.6 17.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -56.02 -48.68 75.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.448 ' SD ' HG21 ' A' ' 42' ' ' THR . 35.9 mmt -57.13 -39.9 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.29 -45.21 91.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 104' ' ' TRP . 9.6 mt -59.61 -48.39 81.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.466 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 tpp -53.3 -34.71 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -69.32 -49.68 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.41 -55.18 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 50' ' ' MET . 55.1 t -55.0 -41.53 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -57.84 -54.45 46.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.23 -46.66 82.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 106' ' ' ARG . 18.6 mt-10 -59.96 -42.44 94.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -52.59 -36.32 55.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 28' ' ' TYR . 16.0 mt -54.58 127.13 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -97.8 27.6 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 179.18 105.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -55.68 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -131.04 175.12 9.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -178.432 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.44 136.2 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG11 HD12 ' A' ' 7' ' ' ILE . 11.3 t -137.03 133.78 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.7 tt -116.23 104.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.535 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.6 tt -87.17 140.78 29.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.447 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.7 t -134.25 127.41 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -169.42 -170.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -156.15 31.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -82.61 138.18 34.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.91 -42.18 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' ND2' ' A' ' 45' ' ' ASN . 14.1 t80 -50.39 -36.56 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -84.23 -51.02 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -46.99 -56.06 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.9 -50.75 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.08 -48.68 19.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 82' ' ' ILE . 44.3 mm -71.51 -68.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -94.71 39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -166.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -51.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.456 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 41.7 m0 -86.59 -42.04 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.042 -171.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.667 HD12 HD13 ' A' ' 78' ' ' ILE . 66.3 mt -78.92 -33.57 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.65 -36.62 76.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.563 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -90.09 -48.1 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 47.3 m0 -57.91 -60.35 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -55.14 21.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -175.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -50.05 -56.98 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.74 -31.25 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.253 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.02 40.69 0.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.1 m95 50.96 64.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -152.97 163.57 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -90.43 -172.68 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.83 62.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -99.54 32.88 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.4 mttt 50.91 90.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -160.12 167.86 13.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.69 34.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.07 151.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -77.67 127.82 33.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t30 61.63 42.55 10.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.99 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.84 -37.08 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.51 ' CE2' HD11 ' A' ' 49' ' ' LEU . 13.0 m95 -60.07 -54.34 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 107.974 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.94 -46.24 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.4 ' CZ ' ' OE2' ' A' ' 57' ' ' GLU . 7.9 ttt180 -53.98 -43.67 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 49' ' ' LEU . 22.7 tp -65.59 -68.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -49.03 -47.73 44.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.6 83.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.07 63.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.41 -30.07 66.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 113' ' ' GLN . . . -82.96 54.37 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 -177.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 112' ' ' GLY . 82.4 mm-40 -147.56 -52.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.291 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 175.84 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 -171.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -79.82 110.47 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.9 mm -87.57 130.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -122.69 98.75 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.0 m95 -79.57 107.89 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.44 88.22 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.91 125.46 29.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.32 136.47 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -56.62 -45.9 81.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -56.9 -45.84 82.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.24 -37.49 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.9 ttp85 -67.82 -33.51 74.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.586 ' SG ' HD12 ' A' ' 25' ' ' ILE . 47.7 m -61.68 -47.33 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.83 -39.89 86.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.35 -51.11 69.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.04 -41.54 88.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 12' ' ' SER . . . -55.67 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.26 -41.73 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.23 75.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -78.55 -39.03 38.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.86 67.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 20.5 mmt -95.75 33.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -160.39 72.68 2.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.39 9.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 40.2 p -148.74 38.68 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.72 -168.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.8 141.76 23.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.38 102.03 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -94.33 -40.92 9.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -91.01 49.82 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.031 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -86.3 56.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -165.08 140.51 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 59' ' ' LEU . 38.8 t -78.91 137.63 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 26' ' ' LEU . 10.1 tt0 -122.14 144.05 49.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 -175.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.499 HD12 HG11 ' A' ' 65' ' ' VAL . 58.8 mt -137.54 86.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -174.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.484 ' HD1' HD22 ' A' ' 130' ' ' ASN . 0.1 OUTLIER -100.93 105.72 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 175.221 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 11.7 p -91.48 153.95 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -172.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.69 92.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.46 144.9 20.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -141.36 98.08 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 178.066 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -108.91 137.65 46.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' ' HB1' ' A' ' 141' ' ' ALA . 37.9 mt -81.93 -33.18 30.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.75 -151.49 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -168.24 77.66 0.84 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.1 89.18 Favored 'Cis proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -2.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.51 41.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' A' ' 141' ' ' ALA . . . -163.9 -155.94 8.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' ' HB1' ' A' ' 137' ' ' ALA . . . -170.82 169.46 42.43 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 31.3 p90 -118.76 114.74 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 111.013 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 133.57 11.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -136.22 123.13 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.373 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.97 88.43 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.96 HD23 ' CE1' ' A' ' 35' ' ' PHE . 31.9 tp -91.64 106.74 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -92.96 98.0 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.22 -164.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -58.98 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -173.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.22 37.87 18.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -158.39 124.98 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -74.34 139.97 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -147.82 117.64 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.5 m -95.84 144.36 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.96 ' CE1' HD23 ' A' ' 26' ' ' LEU . 18.7 m-85 -128.25 88.32 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -127.05 93.3 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.58 ' HB1' HD12 ' A' ' 146' ' ' LEU . . . -85.89 -174.47 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.492 ' HA2' ' HB1' ' A' ' 140' ' ' ALA . . . -139.58 112.46 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -106.46 146.12 30.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 111.017 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 146' ' ' LEU . 28.0 p -86.26 -34.9 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.372 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -147.55 105.59 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -176.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.09 166.72 29.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -104.38 165.58 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 m120 -54.49 -45.04 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -176.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.526 ' NH1' HD11 ' A' ' 103' ' ' LEU . 64.5 mtp85 -60.12 -53.28 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -36.83 53.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.12 -68.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.853 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -48.13 -35.84 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.479 ' HG2' ' CG ' ' A' ' 22' ' ' TYR . 2.4 ttm -58.88 -62.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -47.09 -39.45 13.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.47 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 49' ' ' LEU . 41.0 mt -57.38 -61.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG21 ' CZ ' ' A' ' 22' ' ' TYR . 54.3 t -49.22 -45.74 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -171.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' A' ' 26' ' ' LEU . . . -58.29 -44.56 88.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 114' ' ' HIS . 12.1 mt -69.62 -33.03 72.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.26 -48.67 72.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.29 -38.99 55.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 5' ' ' VAL . 8.3 mt -61.83 97.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -96.18 46.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.43 155.15 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.654 ' CE1' HE21 ' A' ' 113' ' ' GLN . 13.2 m170 -80.05 109.84 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.4 m -150.74 174.8 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.261 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.91 169.3 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 7' ' ' ILE . 44.0 t -152.7 135.99 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD12 ' HB2' ' A' ' 117' ' ' LYS . 4.3 tp -113.05 110.19 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.64 HD13 ' CH2' ' A' ' 118' ' ' TRP . 1.0 OUTLIER -91.9 148.54 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -173.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.4 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.4 t -145.24 116.25 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -166.58 -170.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.399 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.15 34.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 t -84.69 116.27 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -58.88 -37.9 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 49' ' ' LEU . 18.7 t80 -54.45 -43.27 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 49' ' ' LEU . 59.4 t -78.15 -53.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -47.88 -55.84 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -176.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 33.8 mt-30 -69.05 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 81' ' ' TRP . . . -41.87 -34.24 1.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.929 HD13 HD12 ' A' ' 82' ' ' ILE . 22.9 mm -82.63 -69.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -174.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 HG22 ' A' ' 78' ' ' ILE . 27.3 p -93.98 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -152.5 -51.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 173.532 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.46 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 39.7 m0 -90.8 -41.14 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.032 -172.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.929 HD12 HD13 ' A' ' 78' ' ' ILE . 45.1 mt -82.66 -31.51 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -59.39 -34.87 72.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.558 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -94.21 -49.11 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' CG1' ' A' ' 98' ' ' VAL . 40.4 m0 -53.85 -56.06 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -49.61 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -174.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -50.79 -52.44 41.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -50.03 -28.77 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.61 37.1 1.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.2 m95 50.62 60.36 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -153.13 155.32 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.2 p -95.51 -170.84 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.18 88.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.01 34.66 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -177.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 pttt 44.35 36.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -95.9 168.21 11.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.21 41.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG1' ' CZ3' ' A' ' 85' ' ' TRP . 48.4 t -82.87 150.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.43 121.47 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.57 41.94 14.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 105' ' ' GLN . 10.7 p -56.92 -31.31 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.31 -53.83 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.311 -175.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.526 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.9 mt -71.63 -44.01 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.783 ' CH2' HD11 ' A' ' 49' ' ' LEU . 69.2 m95 -49.89 -57.42 7.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 107.985 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.403 ' HG3' HG22 ' A' ' 101' ' ' VAL . 84.5 mt-30 -48.99 -51.61 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -54.63 -37.45 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.84 -31.09 64.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.26 -60.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.37 -33.81 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.45 -34.76 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.93 HD23 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -50.05 -29.5 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 172.47 52.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.654 HE21 ' CE1' ' A' ' 62' ' ' HIS . 3.3 mm100 63.39 11.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.618 ' CD2' HD22 ' A' ' 56' ' ' LEU . 9.7 m-70 -139.86 116.48 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -169.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -79.44 88.39 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 163.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.93 HD12 HD23 ' A' ' 111' ' ' LEU . 50.8 mt -89.4 107.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -171.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 66' ' ' ILE . 40.2 mtpt -84.56 102.02 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 171.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.64 ' CH2' HD13 ' A' ' 67' ' ' LEU . 87.2 m95 -78.25 98.66 5.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -94.63 91.74 6.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.624 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 54.2 m95 -79.46 105.88 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.049 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.86 -178.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.607 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -59.74 -56.74 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASN . . . . . 0.484 HD22 ' HD1' ' A' ' 8' ' ' PHE . 4.4 m120 -55.58 -36.24 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.12 -35.08 80.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -66.78 -49.51 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.75 -28.33 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.296 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.37 -40.03 89.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.74 -39.13 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.08 -43.88 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 21' ' ' GLY . . . -59.92 -43.4 94.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 43.6 mtm180 -64.05 -39.33 93.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.97 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.492 ' HB1' ' HA2' ' A' ' 38' ' ' GLY . . . -64.21 -35.72 81.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 138' ' ' ARG . . . -57.03 -38.13 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 25.9 mmt -79.47 -25.4 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -144.26 78.36 13.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.3 m -156.78 -49.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' THR . 20.2 mt -81.47 -168.48 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -149.53 158.47 44.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.59 97.69 5.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.5 m -87.42 -42.22 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -92.18 49.57 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 111.039 179.256 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -84.57 64.8 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -174.1 128.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 66' ' ' ILE . 12.1 t -81.47 131.3 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -112.54 101.56 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.595 HD12 ' CG1' ' A' ' 65' ' ' VAL . 70.7 mt -104.14 121.23 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -173.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -129.47 107.22 9.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -86.81 148.0 25.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -160.25 97.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 140.36 42.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.065 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.638 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 1.7 t -108.81 36.35 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.011 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.32 111.65 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 108.296 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.17 -41.06 20.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.98 -148.71 23.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -175.49 76.98 0.3 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.278 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.0 41.0 Favored 'Cis proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -6.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.97 174.14 46.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.29 -152.69 5.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.87 -150.16 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 37' ' ' ALA . 16.4 p90 -146.58 133.12 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 111.001 177.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.07 123.8 4.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -137.76 124.09 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.589 HD12 ' SG ' ' A' ' 133' ' ' CYS . 72.0 mt -80.58 118.05 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' CE2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -122.42 94.41 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -78.98 124.27 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -114.88 -165.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -55.79 97.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -171.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.33 34.27 18.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -158.99 116.99 2.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.29 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.96 108.43 10.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 mtmt -105.45 113.31 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.541 ' CG2' HD13 ' A' ' 136' ' ' LEU . 22.6 m -101.47 141.74 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.975 ' CE2' HD22 ' A' ' 26' ' ' LEU . 14.9 m-85 -126.22 94.61 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.994 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 t -131.82 81.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . . . -91.73 151.81 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 156.61 15.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -135.92 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.983 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 144' ' ' PRO . 41.6 p -85.65 -35.86 20.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -175.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -164.51 114.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.91 163.3 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 p -92.05 172.85 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -77.4 -43.12 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 73' ' ' TYR . 3.6 m-20 -57.92 -53.21 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -56.54 -42.02 77.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.5 mmt -73.03 -35.54 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.2 -46.74 75.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.631 HD11 ' CZ2' ' A' ' 104' ' ' TRP . 10.4 mt -59.27 -56.83 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 52.6 tpp -47.51 -38.2 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -61.31 -59.63 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -57.88 -49.64 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.62 -57.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' MET . 53.4 t -52.23 -38.87 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -55.46 -48.2 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 177.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 114' ' ' HIS . 7.0 mt -73.33 -33.85 65.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 37.6 mt-10 -55.32 -49.88 71.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -52.77 -38.68 61.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.6 mt -71.29 133.99 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -141.4 52.67 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -175.39 170.67 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.18 76.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -161.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -168.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -141.64 107.3 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 172.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 7' ' ' ILE . 73.7 t -107.07 135.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -167.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 117' ' ' LYS . 4.1 tp -114.2 96.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 168.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 68' ' ' SER . 1.4 tt -85.83 141.01 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -173.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.436 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.9 t -136.02 121.0 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -160.36 175.32 12.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -138.19 31.99 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -80.34 116.46 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.26 -33.82 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 45' ' ' ASN . 18.5 t80 -58.46 -42.03 86.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.54 -42.5 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.36 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -46.32 -57.85 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.25 -44.7 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.26 -54.12 13.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 82' ' ' ILE . 47.9 mm -68.28 -70.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.58 0.812 . . . . 0.0 109.312 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -94.99 40.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -164.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -159.48 -52.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.458 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 45.8 m0 -81.97 -43.63 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.054 -170.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 78' ' ' ILE . 83.7 mt -75.69 -35.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -175.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -58.39 -40.35 82.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -86.3 -45.7 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.458 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 50.1 m0 -60.99 -58.13 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.019 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.34 -57.6 10.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -52.07 -52.51 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -53.47 -32.23 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.33 43.82 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.6 m95 56.51 78.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 85' ' ' TRP . 65.8 mttt -145.93 -169.69 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.6 p -132.79 -61.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -157.25 -72.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -96.16 45.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.3 mttt 59.02 90.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -151.2 162.01 28.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 110.965 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.0 156.64 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -79.57 132.13 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 58.56 38.87 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.57 -34.81 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -56.02 -48.79 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 150' ' ' GLY . 24.2 mt -73.34 -32.73 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -175.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CZ2' HD11 ' A' ' 49' ' ' LEU . 69.7 m95 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -54.44 -48.15 72.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.411 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 10.4 ttt180 -57.62 -38.46 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 78' ' ' ILE . 23.4 tp -65.68 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.51 -47.89 48.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -172.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.31 86.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.05 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.47 -23.56 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.36 47.5 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -137.64 -50.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -107.06 163.37 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -168.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -78.57 106.73 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 118' ' ' TRP . 48.2 mm -81.4 110.83 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.5 ' HB3' HD12 ' A' ' 66' ' ' ILE . 8.4 tppt? -98.35 103.82 15.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.509 ' CE2' HG21 ' A' ' 116' ' ' ILE . 97.3 m95 -77.8 92.02 4.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 -177.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -97.35 89.1 4.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -83.32 121.2 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.2 m -86.01 171.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -174.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 174.252 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -67.18 -53.03 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -64.01 -36.16 83.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -55.05 -45.25 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -65.8 -37.33 85.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.589 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.9 m -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 108.296 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 137' ' ' ALA . 20.1 t0 -59.1 -42.37 90.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.7 -48.25 78.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.541 HD13 ' CG2' ' A' ' 34' ' ' THR . 8.0 mt -58.81 -42.23 88.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -52.22 -48.35 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -56.74 -43.06 80.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.85 -39.71 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.79 56.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.24 -32.65 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 15.0 mmt -94.28 36.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -155.69 67.96 4.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 -9.17 20.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -170.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 p -95.8 88.97 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.452 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -150.93 -170.14 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.33 113.07 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -81.99 88.56 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -100.72 -41.62 6.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 103' ' ' LEU . . . -56.69 -49.1 72.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -126.5 58.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -152.25 150.26 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG22 ' A' ' 65' ' ' VAL . 2.6 t -85.96 116.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.51 105.85 12.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -164.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 55' ' ' ALA . 40.1 mm -109.73 78.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -170.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.73 104.96 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.4 p -100.72 150.03 23.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -160.2 124.44 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 174.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.58 145.99 16.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -161.39 127.92 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.7 t -114.4 148.62 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 108.297 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -129.46 64.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -176.524 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.63 -143.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -170.71 78.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -66.7 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 5.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 173.01 22.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.043 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA3' HG23 ' A' ' 42' ' ' THR . . . -64.73 152.21 50.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -172.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.45 116.7 5.3 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -104.24 120.43 41.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -176.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -140.09 111.32 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 35' ' ' PHE . . . -142.83 98.29 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 175.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.89 102.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 7' ' ' ILE . 3.4 tt -101.29 96.64 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.67 102.02 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.41 174.91 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -49.52 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.7 32.32 24.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -149.16 87.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.81 109.66 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -117.09 131.81 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 37.2 m -96.57 145.41 25.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.66 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 21.8 m-85 -141.26 90.71 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -151.14 70.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -171.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.57 -168.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 127.27 2.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.64 174.68 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 111.001 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -99.36 -46.14 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.22 92.11 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -172.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.429 HG23 ' HA3' ' A' ' 20' ' ' GLY . 1.4 t -162.55 143.03 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -82.58 173.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.33 -38.82 71.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -54.93 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -178.469 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 151' ' ' TYR . 15.2 ptm180 -61.5 -28.94 69.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.3 mmt -53.63 -63.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 28.0 mt-10 -54.29 -38.41 65.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 104' ' ' TRP . 1.3 mt -51.64 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.45 ' HB3' HD13 ' A' ' 103' ' ' LEU . 5.1 ptp -64.92 -24.11 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -52.06 -59.06 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 174.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.2 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 103' ' ' LEU . 38.9 mt -55.96 -60.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 76.7 t -59.79 -26.71 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -66.12 -52.9 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 171.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 65' ' ' VAL . 8.7 mt -60.38 -34.04 73.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -80.32 -32.01 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -57.9 -42.12 84.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 61' ' ' GLU . 1.2 pp -57.29 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -158.58 31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.539 ' H ' HD12 ' A' ' 59' ' ' LEU . 17.0 mt-10 -156.12 111.88 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.43 84.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.866 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m -141.82 162.1 36.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -165.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -46.52 130.6 11.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.24 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 63' ' ' CYS . 49.3 t -135.32 131.23 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 tt -99.43 145.47 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.4 OUTLIER -131.73 90.97 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -172.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 m -80.91 105.45 12.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -142.59 169.59 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.63 46.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -100.61 146.58 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.67 -34.27 40.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.512 ' OH ' HD12 ' A' ' 49' ' ' LEU . 12.9 t80 -70.48 -47.41 60.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -68.97 -57.23 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -47.13 -47.52 23.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.54 -56.98 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.69 -40.73 18.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' A' ' 82' ' ' ILE . 22.6 mt -79.85 -69.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 HG22 ' A' ' 78' ' ' ILE . 82.1 p -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -168.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.62 -48.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -90.41 -58.79 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 78' ' ' ILE . 13.5 mt -56.99 -35.2 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -167.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -57.69 -38.95 76.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -85.61 -44.33 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -58.92 -46.73 87.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -57.18 -60.88 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.96 -44.56 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -50.66 -30.5 13.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.49 38.46 1.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.9 m95 57.52 47.06 16.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -142.34 142.97 32.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 98' ' ' VAL . 41.5 p -93.26 -34.6 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.74 -163.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.59 90.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 66.02 58.91 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -133.29 155.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 92' ' ' THR . 95.0 t -100.29 149.06 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 176.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.92 125.34 27.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.427 ' ND2' HD13 ' A' ' 49' ' ' LEU . 43.7 t-20 58.96 53.3 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.245 -177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.1 -38.43 71.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.65 -56.24 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 53' ' ' ILE . 68.1 mt -63.07 -40.3 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.743 ' CZ3' HD11 ' A' ' 82' ' ' ILE . 7.0 m95 -59.21 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -52.94 -41.47 64.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' HG21 ' A' ' 53' ' ' ILE . 99.4 mtt180 -62.08 -34.71 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' CG1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -58.86 -59.51 5.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 173.069 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.98 -46.8 76.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -171.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.2 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.95 -36.92 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.589 ' HA ' HD13 ' A' ' 116' ' ' ILE . 6.8 mt -56.06 -32.35 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.61 52.2 2.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -174.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.0 -53.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.312 169.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 1.3 p-80 -125.66 -178.04 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -89.63 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 173.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 116' ' ' ILE . 4.0 mp -87.89 92.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 174.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -83.79 106.89 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.681 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 36.3 m95 -84.06 97.78 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 -171.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.95 102.4 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.432 ' CZ2' ' CB ' ' A' ' 118' ' ' TRP . 16.5 m95 -84.76 110.03 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.8 m -100.54 154.46 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 54.6 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.268 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.38 -45.09 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -54.46 -44.35 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.96 -38.44 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -67.9 -35.03 77.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 39.2 m -61.95 -50.72 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.88 -47.34 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.76 -42.36 71.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.23 -38.85 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -34.33 66.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.35 80.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.0 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -56.09 -42.31 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.91 35.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -161.2 80.87 2.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 36.3 p -150.37 -56.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.42 178.99 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.03 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -88.3 133.78 33.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 149' ' ' THR . 14.3 t -101.12 41.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.68 -45.68 0.59 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' TYR . . . . . 0.483 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 3.0 m-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 110.986 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -84.17 64.02 8.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -160.04 -178.64 7.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' ILE . 11.6 t -87.75 131.68 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -125.44 138.9 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 65' ' ' VAL . 63.0 mt -132.84 103.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -177.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.72 104.2 14.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.0 p -90.94 143.34 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.415 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -160.3 97.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.36 162.65 33.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.2 p -152.67 91.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.42 130.91 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.288 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.2 -43.18 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.7 -146.48 15.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.107 . . . . 0.0 110.983 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -176.38 76.35 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.31 68.77 Favored 'Cis proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -2.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.41 173.54 43.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.46 -164.19 9.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 177.73 35.7 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 31.2 p90 -123.99 98.72 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.85 121.33 6.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -145.64 135.0 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.45 HD12 ' SG ' ' A' ' 133' ' ' CYS . 89.1 mt -88.64 158.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 35' ' ' PHE . 7.2 tp -135.61 153.17 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -135.39 90.21 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE1' HD22 ' A' ' 59' ' ' LEU . 1.9 t80 -113.13 124.07 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 63.56 -154.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.35 30.62 4.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -140.12 133.04 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 110.277 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -87.9 144.35 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -131.76 178.23 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 136' ' ' LEU . 47.6 m -151.79 154.07 35.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.742 ' CE2' HD22 ' A' ' 26' ' ' LEU . 24.0 m-85 -140.04 93.72 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -135.35 86.11 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 140' ' ' ALA . . . -90.18 -175.86 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.71 120.38 2.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -101.48 155.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.021 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 146' ' ' LEU . 31.4 p -83.58 -47.18 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -142.54 109.53 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.18 164.42 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -98.68 176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.12 -41.76 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.624 ' ND2' ' CD1' ' A' ' 73' ' ' TYR . 2.9 m120 -53.89 -59.9 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -52.62 -38.67 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -54.9 37.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.68 -45.16 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD2' HD22 ' A' ' 107' ' ' LEU . 10.0 mt -60.4 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.414 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 tpp -54.36 -33.33 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -68.85 -51.03 44.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.86 87.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.2 mt -68.59 -59.75 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' MET . 56.1 t -52.64 -43.02 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -175.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 65' ' ' VAL . 50.9 mt -61.13 -46.54 90.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 24.0 mt-10 -56.84 -40.18 75.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -56.89 -36.34 70.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 28' ' ' TYR . 36.4 mt -54.85 128.33 32.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -99.11 26.92 5.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 178.86 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -55.88 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.1 m -131.01 174.74 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.268 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -46.28 135.23 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 63' ' ' CYS . 11.7 t -137.28 133.71 46.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.9 tt -117.37 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.2 tt -82.65 140.55 33.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.3 t -132.5 123.34 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -169.38 -169.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -159.65 34.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -80.79 136.98 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -72.56 -38.26 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.624 ' CD1' ' ND2' ' A' ' 45' ' ' ASN . 12.8 t80 -56.16 -39.43 72.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.62 -49.34 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -47.73 -57.79 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.64 -50.71 19.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CE3' ' A' ' 81' ' ' TRP . . . -47.43 -43.43 20.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 82' ' ' ILE . 36.5 mm -76.36 -72.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 p -67.06 -29.04 68.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -167.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -58.0 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 -168.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.536 ' HA ' HD21 ' A' ' 84' ' ' ASN . 51.2 m0 -77.43 -44.67 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -165.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 tt -49.76 -35.22 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -172.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.448 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 9.2 t-80 -58.32 -72.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.536 HD21 ' HA ' ' A' ' 81' ' ' TRP . 6.9 p30 -57.36 -38.98 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -177.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -57.96 -63.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -55.35 -55.64 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 83' ' ' HIS . 45.8 mttm -50.66 -52.67 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -51.74 -31.05 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.42 41.71 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.3 m95 56.52 47.73 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -150.11 -179.34 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.7 p -91.12 -171.86 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.92 -36.09 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.9 32.93 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mttt 50.99 90.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -160.06 168.15 12.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.72 28.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.67 151.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -76.87 130.11 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 59.78 38.93 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.44 -40.15 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.37 -49.87 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.16 -35.6 81.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 49' ' ' LEU . 21.4 m95 -61.21 -56.07 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -48.75 -49.25 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 9.1 ttt180 -54.11 -39.04 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 49' ' ' LEU . 32.2 tp -72.02 -67.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.2 -43.64 42.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.13 89.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.11 75.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -57.95 -32.35 67.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.77 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -148.55 -52.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 176.2 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.618 -173.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -79.92 109.8 14.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.02 132.06 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -126.74 99.24 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.2 m95 -79.89 111.2 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.01 87.25 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -79.93 115.5 19.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.85 159.46 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.0 -41.07 77.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.17 -44.16 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -57.48 -39.15 75.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -67.05 -34.66 78.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.8 m -59.79 -52.39 65.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.263 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.43 -41.39 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -52.18 -45.17 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.503 HD13 HG21 ' A' ' 34' ' ' THR . 11.0 mt -68.89 -40.16 79.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.64 76.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.9 ttm105 -66.86 -49.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.72 88.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -72.16 -37.21 69.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.49 69.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 32.5 tpp -94.93 35.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -160.23 77.25 2.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 85.6 m -104.8 -34.45 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.456 HD12 ' HB1' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -86.42 -168.08 2.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -177.421 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -139.62 155.43 47.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.36 123.13 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.0 m -53.44 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.83 39.14 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.285 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -84.15 60.63 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -165.19 154.53 12.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 59' ' ' LEU . 11.9 t -79.96 133.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -120.31 142.03 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.566 HD12 HG11 ' A' ' 65' ' ' VAL . 67.7 mt -134.94 101.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD2' ' OG ' ' A' ' 68' ' ' SER . 79.4 m-85 -101.7 103.21 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 52' ' ' ALA . 75.8 p -87.61 142.54 27.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.383 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 11.6 t0 -160.37 90.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 172.99 53.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.583 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 3.9 t -157.17 109.64 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.945 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 p -132.09 151.05 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 19' ' ' PRO . 3.6 mt -80.43 -53.7 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.36 100.23 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 53.66 90.1 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -78.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -5.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.95 79.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.02 61.62 5.72 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.74 -150.18 9.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.02 -174.16 22.4 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 32.1 p90 -122.75 99.79 6.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 111.02 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.34 104.33 2.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -130.72 114.65 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.306 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.507 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.0 mt -92.92 102.03 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -101.2 119.51 38.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -177.815 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 26' ' ' LEU . 21.8 ttm-85 -101.59 125.82 48.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -105.44 -164.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -53.54 96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.02 42.11 15.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -158.67 110.13 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.3 143.33 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -140.34 146.54 38.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 m -110.39 143.35 40.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 7.0 m-85 -144.16 89.24 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -151.61 95.98 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.045 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.16 -171.63 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.41 114.03 2.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -104.42 129.43 52.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 111.021 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 146' ' ' LEU . 18.9 p -78.63 -25.4 45.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -146.02 107.17 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 164.7 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -114.49 -166.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.11 -55.1 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 73' ' ' TYR . 4.9 m-20 -52.73 -38.22 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -177.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH2' HD11 ' A' ' 103' ' ' LEU . 44.2 mtp85 -65.38 -60.37 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.5 mmt -55.93 -45.3 78.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -51.3 -53.48 35.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 104' ' ' TRP . 14.2 mt -59.54 -53.29 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.8 tpp -48.23 -40.99 26.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -60.18 -68.87 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -55.93 -43.15 77.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -176.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.48 -59.52 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' MET . 24.3 t -46.72 -41.64 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.09 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 7' ' ' ILE . 27.0 mt -63.18 -42.68 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -55.99 -43.77 77.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.23 54.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 5' ' ' VAL . 7.5 mt -72.57 102.58 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -100.89 54.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -176.52 156.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' A' ' 113' ' ' GLN . 2.6 m-70 -80.43 112.21 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 114' ' ' HIS . 24.0 m -143.28 -146.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 -178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -123.89 165.93 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 7' ' ' ILE . 56.4 t -152.97 149.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -176.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 5' ' ' VAL . 8.0 tt -130.25 99.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 67' ' ' LEU . 7.5 tt -84.11 134.71 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -175.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.411 ' OG ' ' CD2' ' A' ' 8' ' ' PHE . 9.5 p -124.71 124.73 42.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.3 t -166.83 -169.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.75 32.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -90.35 105.44 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.23 -34.29 63.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 45' ' ' ASN . 3.9 t80 -52.66 -43.19 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.88 -53.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -45.12 -46.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -69.1 -67.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -43.69 -37.41 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 79' ' ' THR . 13.5 mm -67.9 -75.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 78' ' ' ILE . 41.6 p -69.12 -28.71 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -66.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.415 ' CG ' ' HA2' ' A' ' 77' ' ' GLY . 50.5 m0 -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 107.997 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.5 tt -49.53 -35.97 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -59.07 -72.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -56.57 -39.64 73.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -58.08 -72.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -52.93 39.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -48.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -49.64 -29.27 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.6 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.1 m95 52.74 47.78 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -150.54 179.91 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.5 p -93.36 -172.46 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.77 42.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 95' ' ' LYS . 4.4 p-10 -97.24 39.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' ASP . 49.9 pttt 38.97 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -148.34 166.37 15.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.88 29.55 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.97 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.3 t -85.94 150.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -76.19 128.34 34.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 60.51 39.44 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.24 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.72 -47.17 87.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.446 HD11 ' NH2' ' A' ' 46' ' ' ARG . 32.6 mt -68.7 -38.72 80.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 49' ' ' LEU . 16.6 m95 -62.7 -47.74 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.019 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -52.26 -55.67 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.08 -38.71 65.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 21.3 tp -62.74 -42.19 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.42 -56.0 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.27 -40.43 71.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 114' ' ' HIS . . . -68.21 -31.21 70.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 116' ' ' ILE . 1.1 mt -74.63 -10.43 59.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.13 -37.12 25.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 62' ' ' HIS . 8.9 mt-30 -78.22 -70.15 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -93.34 153.11 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -170.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -91.8 100.98 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.69 HD12 HD23 ' A' ' 111' ' ' LEU . 4.4 mt -87.53 113.18 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HE2' HD12 ' A' ' 66' ' ' ILE . 30.7 ttpt -79.87 113.79 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 120' ' ' TRP . 74.8 m95 -79.32 90.64 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.026 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -91.94 89.72 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 118' ' ' TRP . 8.7 m95 -79.93 112.75 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.5 m -111.27 140.99 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.422 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -57.8 -45.78 85.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -63.1 -42.15 99.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -54.02 -37.65 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.83 -35.38 67.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.507 ' SG ' HD12 ' A' ' 25' ' ' ILE . 61.4 m -59.02 -45.1 91.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -63.09 -44.77 94.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.11 -42.11 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.93 -42.29 73.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -58.03 -44.48 87.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -76.77 -50.63 13.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.93 67.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.83 64.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.19 -34.36 68.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 14.3 mmt -93.36 32.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -160.3 78.17 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.07 29.69 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.4 p -149.32 -50.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 40' ' ' THR . 10.6 mt -97.03 -177.13 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -137.78 151.85 48.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 110.305 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -79.77 120.35 23.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 94.1 m -92.7 -34.65 13.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -93.71 44.96 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.263 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.79 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 66' ' ' ILE . 32.8 tt0 -172.64 147.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 66' ' ' ILE . 59.0 t -84.69 142.09 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 27' ' ' ARG . 38.9 mt-10 -126.89 137.02 53.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 65' ' ' VAL . 74.2 mt -135.79 94.91 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -98.33 106.26 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -100.38 146.85 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.441 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -160.68 97.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.14 161.42 41.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -157.94 87.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.974 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.23 136.19 33.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.288 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.17 -35.9 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.12 -152.8 8.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -170.19 76.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 43' ' ' THR . 18.2 Cg_endo -75.0 169.82 73.54 Favored 'Cis proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -0.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.69 173.74 46.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.046 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 141' ' ' ALA . . . -144.37 -165.22 10.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.43 163.95 36.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' O ' ' HA ' ' A' ' 36' ' ' SER . 50.7 p90 -113.28 126.54 55.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 36' ' ' SER . . . -102.59 116.12 5.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.3 102.55 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.644 HD12 ' SG ' ' A' ' 133' ' ' CYS . 79.9 mt -85.1 114.59 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 6' ' ' GLU . 11.0 tp -91.79 155.93 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 19.5 ttm-85 -141.77 98.84 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.73 -164.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -55.94 91.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.97 28.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -158.05 107.13 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -80.4 140.31 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -143.65 130.14 20.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 m -94.13 150.76 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -147.52 98.37 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 9.4 t -161.6 97.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.93 173.05 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.91 163.52 15.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -147.61 149.4 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.967 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 146' ' ' LEU . 33.6 p -94.95 -29.84 14.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -146.29 97.34 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 t -149.34 170.14 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 17' ' ' PRO . 46.3 p -123.98 170.68 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.7 -41.41 97.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 45.6 m-20 -59.11 -53.49 57.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -56.99 -49.11 76.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.6 mmt -61.35 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.21 -52.98 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 53' ' ' ILE . 20.1 mt -60.96 -49.84 75.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.781 ' O ' HG23 ' A' ' 54' ' ' VAL . 59.8 tpp -51.32 -35.45 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -177.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 22' ' ' TYR . . . -64.46 -55.82 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 67' ' ' LEU . . . -66.31 -37.36 85.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 49' ' ' LEU . 65.4 mt -71.93 -45.9 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 50' ' ' MET . 75.3 t -63.04 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.53 83.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD21 HG11 ' A' ' 65' ' ' VAL . 48.2 mt -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.06 -36.5 68.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.83 73.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 5' ' ' VAL . 49.9 mt -62.56 121.42 13.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -102.8 38.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.49 112.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 113' ' ' GLN . 32.3 m170 -55.77 112.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.747 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 64.7 m -147.26 175.42 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.1 138.04 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.619 ' CG1' HD12 ' A' ' 7' ' ' ILE . 72.2 t -131.91 130.64 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 5' ' ' VAL . 12.0 tt -116.74 112.53 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' SER . 1.1 tt -93.74 145.59 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 8.7 t -140.01 115.57 10.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.076 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -165.9 145.95 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -92.6 38.24 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -87.4 119.88 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -80.81 -39.72 26.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.493 ' O ' ' HA3' ' A' ' 77' ' ' GLY . 15.2 t80 -57.75 -37.93 74.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.963 ' O ' HG12 ' A' ' 78' ' ' ILE . 64.6 t -81.87 -41.79 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.531 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 75.8 ttt180 -57.38 -56.99 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.917 ' O ' ' CB ' ' A' ' 80' ' ' GLN . 36.0 mt-30 -74.18 -44.9 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -53.57 -33.43 47.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 1.402 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 37.7 mm -79.8 -66.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -96.04 35.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.917 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -147.66 -53.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 178.53 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HB3' ' CZ3' ' A' ' 85' ' ' TRP . 34.4 m0 -90.78 -42.98 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.402 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 12.7 tt -68.63 -34.64 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -50.65 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.585 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 24.7 m-80 -71.47 -30.85 66.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.993 ' O ' ' HA ' ' A' ' 90' ' ' TRP . 51.3 m0 -81.86 -5.78 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 107.991 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 82' ' ' ILE . 32.4 ttpt -92.33 -80.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 165.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 88' ' ' ARG . 55.2 tttm -47.89 -59.54 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -164.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 1.2 mmt180 -44.47 -97.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.57 5.17 5.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.993 ' HA ' ' O ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER 72.43 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.801 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 80.7 tttt -152.97 166.94 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -171.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 96' ' ' LYS . 36.0 p -73.21 142.59 47.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -173.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.52 63.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 95' ' ' LYS . 24.4 p-10 -85.8 48.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -176.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER 30.35 63.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.778 ' C ' ' HE3' ' A' ' 91' ' ' LYS . 43.2 mttm -141.09 170.41 9.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 18.3 Cg_endo -75.01 145.68 31.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.801 ' CG2' ' HA ' ' A' ' 91' ' ' LYS . 98.8 t -77.72 148.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 175.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 25.5 tptp -69.71 118.69 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 57.48 45.81 19.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.68 -40.78 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.33 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 mt -71.78 -36.22 70.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.768 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 24.2 m95 -57.11 -50.75 71.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.015 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -51.22 -47.14 62.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -59.96 -38.46 82.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.3 tp -73.83 -56.73 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.57 -43.72 76.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 113' ' ' GLN . . . -65.2 -47.0 78.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.7 98.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.9 -37.46 87.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.81 53.52 4.86 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.047 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 71.9 mm-40 -144.69 -58.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.284 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.747 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -110.58 -178.12 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.586 -178.086 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -78.59 144.43 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.4 mm -121.1 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HB3' HG13 ' A' ' 66' ' ' ILE . 12.2 tppt? -120.78 98.35 5.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 175.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.644 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 98.3 m95 -80.48 95.01 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.035 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -92.91 89.59 6.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.644 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 33.8 m95 -82.87 102.03 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.028 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.02 168.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.401 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -54.32 -40.06 67.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -58.78 -42.96 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.38 -39.81 80.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -69.44 -35.67 75.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 25' ' ' ILE . 74.7 m -59.07 -46.58 87.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 108.343 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.48 -43.99 89.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.86 -39.89 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.38 -50.63 69.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.98 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 142' ' ' MET . 25.5 ttm105 -65.29 -38.04 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.48 94.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.32 28.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.494 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . . . -59.8 -39.1 83.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 138' ' ' ARG . 93.3 mmm -78.63 -28.49 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.62 77.04 40.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 145' ' ' THR . 97.9 m -151.56 38.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 40' ' ' THR . 4.1 mt -156.18 -164.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -142.11 153.0 43.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.38 99.69 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.3 m -94.91 84.92 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 165.27 -34.27 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 110.963 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -97.47 66.82 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -159.45 151.26 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.248 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 66' ' ' ILE . 4.3 t -86.66 133.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -126.8 140.05 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 65' ' ' VAL . 54.9 mt -136.24 86.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -176.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.81 102.93 14.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.6 p -82.37 149.6 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 5.9 p-10 -160.5 90.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.02 158.35 29.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 2.5 t -155.79 124.25 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -135.23 133.94 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 108.239 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.48 -31.31 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.6 -155.63 9.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -167.14 77.94 0.99 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.02 65.13 Favored 'Cis proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -0.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.0 172.57 44.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.19 16.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.68 -157.5 10.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.98 170.24 35.36 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.688 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 32.5 p90 -123.78 97.7 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 111.001 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.13 21.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.58 118.54 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.718 HD12 ' SG ' ' A' ' 133' ' ' CYS . 56.7 mt -83.29 112.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 150.48 21.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -130.9 91.63 3.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -109.39 122.22 46.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 63.01 -153.77 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -171.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 28.37 4.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.6 128.26 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -88.69 140.18 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -130.03 174.75 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 m -146.57 145.74 30.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 38.3 m-85 -137.09 99.79 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -142.07 84.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 146' ' ' LEU . . . -90.51 -173.82 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.1 171.95 15.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -150.57 154.35 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 111.017 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.9 p -92.08 -31.47 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -155.0 111.84 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -160.18 164.78 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.8 p -101.8 168.63 9.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.65 -42.87 81.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 23.9 m-20 -65.58 -44.57 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -177.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' NH1' HD11 ' A' ' 103' ' ' LEU . 55.9 mtp85 -55.09 -39.51 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -57.4 13.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 41.0 mt-10 -48.45 -45.17 36.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 104' ' ' TRP . 14.4 mt -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 34.5 tpp -42.51 -37.43 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -61.23 -62.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.7 83.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.3 -58.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 55.6 t -60.32 -31.58 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -174.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -56.06 26.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 65' ' ' VAL . 70.3 mt -58.29 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.96 -38.57 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -55.25 -37.21 66.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.17 138.33 7.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -96.42 25.81 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.03 127.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -74.74 101.92 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 31.6 m -136.44 175.92 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.266 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.98 139.68 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 56' ' ' LEU . 10.6 t -138.63 126.59 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.515 HD12 ' CE ' ' A' ' 117' ' ' LYS . 12.9 tt -107.35 118.17 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 173.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.9 OUTLIER -101.61 132.8 47.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.34 128.77 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -170.01 -172.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -153.64 32.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 t -78.39 137.76 38.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -81.93 -33.85 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 45' ' ' ASN . 86.5 t80 -63.34 -39.3 94.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.15 -56.39 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -45.54 -52.41 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 38.2 mt-30 -71.94 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' TRP . . . -41.18 -33.91 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 82' ' ' ILE . 31.5 mm -86.01 -66.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -172.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.5 p -93.96 41.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -153.18 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 172.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.479 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 42.3 m0 -88.08 -38.01 15.78 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -173.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 78' ' ' ILE . 57.4 mt -87.17 -31.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -57.78 -33.98 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.74 -50.66 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.479 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 39.9 m0 -51.92 -53.59 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -48.36 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -50.67 -49.37 57.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -49.38 -29.41 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.23 39.05 1.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 m95 53.29 57.08 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -135.14 -178.8 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -128.05 -53.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.84 -73.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' C ' ' HG2' ' A' ' 95' ' ' LYS . 22.0 t70 -88.09 56.27 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER 44.93 31.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.46 160.44 64.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.81 42.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 111.014 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.72 153.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -79.2 130.58 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.96 40.23 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.95 -30.79 50.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.72 -54.35 47.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.437 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.8 mt -70.9 -40.55 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 82' ' ' ILE . 21.4 m95 -59.41 -52.07 67.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 107.956 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -52.2 -51.57 57.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 4.5 ttp180 -54.31 -34.78 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.62 -70.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.35 -46.59 47.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.77 96.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 106' ' ' ARG . . . -65.48 -43.86 88.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.43 -28.97 67.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.37 4.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -148.02 -52.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.497 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -113.91 176.66 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 -171.12 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -81.15 105.5 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.455 HG21 ' NE1' ' A' ' 118' ' ' TRP . 45.3 mm -81.78 134.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.515 ' CE ' HD12 ' A' ' 66' ' ' ILE . 23.7 ttpt -128.78 95.76 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.629 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 97.7 m95 -78.33 119.53 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 -175.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -117.62 85.91 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.353 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.629 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 1.8 m95 -83.74 142.51 30.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 107.984 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -119.79 166.6 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.214 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.82 -64.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -48.61 -33.9 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.25 -56.34 23.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.251 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -56.99 -31.4 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 25' ' ' ILE . 34.0 m -67.73 -49.87 60.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.261 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.46 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.99 -44.04 97.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 10' ' ' ASP . . . -57.21 -56.18 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -58.71 -35.56 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.69 83.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.05 -35.75 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.17 56.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 91.4 mmm -95.51 35.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -158.1 71.22 4.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.5 p -148.98 56.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.706 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.5 mt -159.87 143.98 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -80.01 146.44 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.75 167.18 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.5 m -89.19 -75.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -149.8 38.23 0.93 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.985 179.115 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.511 0.196 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.59 113.62 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -83.45 71.46 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -162.78 151.49 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 66' ' ' ILE . 5.6 t -84.14 133.11 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.01 140.2 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.445 HD12 HG11 ' A' ' 65' ' ' VAL . 50.7 mt -136.02 86.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -89.92 104.25 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -91.54 142.52 27.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.37 108.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.84 53.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 3.1 p -132.85 40.26 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.006 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.8 t -86.06 117.71 25.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.73 -36.97 18.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.06 -147.93 16.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -176.6 76.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.329 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.24 53.72 Favored 'Cis proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -4.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.4 171.06 43.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.2 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.24 -159.7 8.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.73 -149.53 5.72 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p90 -150.15 122.53 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 111.023 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.85 132.06 9.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -140.75 139.91 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.1 mt -93.06 111.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.647 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -94.94 140.67 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.022 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -123.52 100.82 7.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -111.67 -165.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -175.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -54.81 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.2 34.61 8.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -159.06 108.91 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.284 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.5 108.85 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.307 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -97.41 146.96 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -122.51 144.97 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 58' ' ' ALA . 35.7 m-85 -136.71 93.57 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.29 94.24 3.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . . . -89.4 179.35 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 106.82 0.48 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.93 174.5 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.033 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 p -107.08 -34.34 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -152.75 106.27 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.448 HG21 ' SD ' ' A' ' 47' ' ' MET . 2.1 t -160.02 165.89 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.6 p -98.81 150.11 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -57.29 -41.31 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.601 ' ND2' ' CD1' ' A' ' 73' ' ' TYR . 3.3 m120 -54.88 -56.6 17.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -56.02 -48.68 75.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.448 ' SD ' HG21 ' A' ' 42' ' ' THR . 35.9 mmt -57.13 -39.9 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.29 -45.21 91.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 104' ' ' TRP . 9.6 mt -59.61 -48.39 81.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.466 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 tpp -53.3 -34.71 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -69.32 -49.68 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.41 -55.18 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 50' ' ' MET . 55.1 t -55.0 -41.53 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -57.84 -54.45 46.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.23 -46.66 82.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 106' ' ' ARG . 18.6 mt-10 -59.96 -42.44 94.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -52.59 -36.32 55.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 28' ' ' TYR . 16.0 mt -54.58 127.13 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -97.8 27.6 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 179.18 105.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -55.68 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -131.04 175.12 9.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -178.432 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.44 136.2 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG11 HD12 ' A' ' 7' ' ' ILE . 11.3 t -137.03 133.78 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.7 tt -116.23 104.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.535 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.6 tt -87.17 140.78 29.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.7 t -134.25 127.41 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -169.42 -170.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -156.15 31.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -82.61 138.18 34.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.91 -42.18 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' ND2' ' A' ' 45' ' ' ASN . 14.1 t80 -50.39 -36.56 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -84.23 -51.02 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -46.99 -56.06 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.9 -50.75 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.08 -48.68 19.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 82' ' ' ILE . 44.3 mm -71.51 -68.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -94.71 39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -166.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -51.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.456 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 41.7 m0 -86.59 -42.04 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.042 -171.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.667 HD12 HD13 ' A' ' 78' ' ' ILE . 66.3 mt -78.92 -33.57 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.65 -36.62 76.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.563 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -90.09 -48.1 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 47.3 m0 -57.91 -60.35 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -55.14 21.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -175.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -50.05 -56.98 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.74 -31.25 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.253 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.02 40.69 0.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.1 m95 50.96 64.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -152.97 163.57 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -90.43 -172.68 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.83 62.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -99.54 32.88 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.4 mttt 50.91 90.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -160.12 167.86 13.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.69 34.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.07 151.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -77.67 127.82 33.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t30 61.63 42.55 10.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.99 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.84 -37.08 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.51 ' CE2' HD11 ' A' ' 49' ' ' LEU . 13.0 m95 -60.07 -54.34 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 107.974 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.94 -46.24 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.4 ' CZ ' ' OE2' ' A' ' 57' ' ' GLU . 7.9 ttt180 -53.98 -43.67 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 49' ' ' LEU . 22.7 tp -65.59 -68.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -49.03 -47.73 44.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.6 83.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.07 63.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.41 -30.07 66.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 113' ' ' GLN . . . -82.96 54.37 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 -177.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 112' ' ' GLY . 82.4 mm-40 -147.56 -52.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.291 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 175.84 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 -171.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -79.82 110.47 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.9 mm -87.57 130.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -122.69 98.75 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.0 m95 -79.57 107.89 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.44 88.22 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.91 125.46 29.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.555 HG11 ' CE1' ' A' ' 127' ' ' HIS . 27.3 m -126.32 136.47 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -84.97 178.78 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.59 52.98 3.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 11.1 p-80 -151.46 -52.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.577 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 124' ' ' HIS . . . -93.91 35.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.92 149.94 43.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.555 ' CE1' HG11 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -97.37 169.63 8.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 0.786 . . . . 0.0 109.6 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.8 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.966 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -56.62 -45.9 81.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -56.9 -45.84 82.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.24 -37.49 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.9 ttp85 -67.82 -33.51 74.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.586 ' SG ' HD12 ' A' ' 25' ' ' ILE . 47.7 m -61.68 -47.33 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.83 -39.89 86.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.35 -51.11 69.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.04 -41.54 88.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 12' ' ' SER . . . -55.67 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.26 -41.73 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.23 75.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -78.55 -39.03 38.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.86 67.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 20.5 mmt -95.75 33.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -160.39 72.68 2.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.39 9.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 40.2 p -148.74 38.68 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.72 -168.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.8 141.76 23.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.38 102.03 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -94.33 -40.92 9.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -91.01 49.82 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -110.1 37.97 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.68 162.78 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.524 HG12 HG23 ' A' ' 155' ' ' VAL . 58.5 t -147.47 66.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.19 -40.91 90.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.524 HG23 HG12 ' A' ' 153' ' ' VAL . 73.0 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.288 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -84.2 134.81 34.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -86.3 56.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -165.08 140.51 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 59' ' ' LEU . 38.8 t -78.91 137.63 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 26' ' ' LEU . 10.1 tt0 -122.14 144.05 49.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 -175.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.499 HD12 HG11 ' A' ' 65' ' ' VAL . 58.8 mt -137.54 86.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -174.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.484 ' HD1' HD22 ' A' ' 130' ' ' ASN . 0.1 OUTLIER -100.93 105.72 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 175.221 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 11.7 p -91.48 153.95 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -172.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.69 92.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.46 144.9 20.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -141.36 98.08 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 178.066 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -108.91 137.65 46.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' ' HB1' ' A' ' 141' ' ' ALA . 37.9 mt -81.93 -33.18 30.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.75 -151.49 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -168.24 77.66 0.84 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.1 89.18 Favored 'Cis proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -2.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.51 41.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' A' ' 141' ' ' ALA . . . -163.9 -155.94 8.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' ' HB1' ' A' ' 137' ' ' ALA . . . -170.82 169.46 42.43 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 31.3 p90 -118.76 114.74 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 111.013 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 133.57 11.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -136.22 123.13 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.373 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.97 88.43 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.96 HD23 ' CE1' ' A' ' 35' ' ' PHE . 31.9 tp -91.64 106.74 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -92.96 98.0 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.22 -164.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -58.98 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -173.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.22 37.87 18.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -158.39 124.98 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -74.34 139.97 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -147.82 117.64 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.5 m -95.84 144.36 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.96 ' CE1' HD23 ' A' ' 26' ' ' LEU . 18.7 m-85 -128.25 88.32 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -127.05 93.3 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.58 ' HB1' HD12 ' A' ' 146' ' ' LEU . . . -85.89 -174.47 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.492 ' HA2' ' HB1' ' A' ' 140' ' ' ALA . . . -139.58 112.46 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -106.46 146.12 30.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 111.017 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 146' ' ' LEU . 28.0 p -86.26 -34.9 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.372 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -147.55 105.59 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -176.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.09 166.72 29.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -104.38 165.58 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 m120 -54.49 -45.04 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -176.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.526 ' NH1' HD11 ' A' ' 103' ' ' LEU . 64.5 mtp85 -60.12 -53.28 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -36.83 53.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.12 -68.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.853 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -48.13 -35.84 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.479 ' HG2' ' CG ' ' A' ' 22' ' ' TYR . 2.4 ttm -58.88 -62.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -47.09 -39.45 13.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.47 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 49' ' ' LEU . 41.0 mt -57.38 -61.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG21 ' CZ ' ' A' ' 22' ' ' TYR . 54.3 t -49.22 -45.74 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -171.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' A' ' 26' ' ' LEU . . . -58.29 -44.56 88.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 114' ' ' HIS . 12.1 mt -69.62 -33.03 72.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.26 -48.67 72.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.29 -38.99 55.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 5' ' ' VAL . 8.3 mt -61.83 97.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -96.18 46.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.43 155.15 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.654 ' CE1' HE21 ' A' ' 113' ' ' GLN . 13.2 m170 -80.05 109.84 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.4 m -150.74 174.8 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.261 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.91 169.3 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 7' ' ' ILE . 44.0 t -152.7 135.99 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD12 ' HB2' ' A' ' 117' ' ' LYS . 4.3 tp -113.05 110.19 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.64 HD13 ' CH2' ' A' ' 118' ' ' TRP . 1.0 OUTLIER -91.9 148.54 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -173.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.4 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.4 t -145.24 116.25 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -166.58 -170.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.399 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.15 34.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 t -84.69 116.27 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -58.88 -37.9 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 49' ' ' LEU . 18.7 t80 -54.45 -43.27 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 49' ' ' LEU . 59.4 t -78.15 -53.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -47.88 -55.84 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -176.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 33.8 mt-30 -69.05 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 81' ' ' TRP . . . -41.87 -34.24 1.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.929 HD13 HD12 ' A' ' 82' ' ' ILE . 22.9 mm -82.63 -69.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -174.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 HG22 ' A' ' 78' ' ' ILE . 27.3 p -93.98 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -152.5 -51.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 173.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.46 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 39.7 m0 -90.8 -41.14 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.032 -172.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.929 HD12 HD13 ' A' ' 78' ' ' ILE . 45.1 mt -82.66 -31.51 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -59.39 -34.87 72.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.558 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -94.21 -49.11 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' CG1' ' A' ' 98' ' ' VAL . 40.4 m0 -53.85 -56.06 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -49.61 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -174.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -50.79 -52.44 41.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -50.03 -28.77 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.61 37.1 1.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.2 m95 50.62 60.36 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -153.13 155.32 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.2 p -95.51 -170.84 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.18 88.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.01 34.66 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -177.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 pttt 44.35 36.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 155' ' ' VAL . 17.5 mttt -95.9 168.21 11.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.21 41.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG1' ' CZ3' ' A' ' 85' ' ' TRP . 48.4 t -82.87 150.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.43 121.47 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.57 41.94 14.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 105' ' ' GLN . 10.7 p -56.92 -31.31 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.31 -53.83 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.311 -175.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.526 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.9 mt -71.63 -44.01 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.783 ' CH2' HD11 ' A' ' 49' ' ' LEU . 69.2 m95 -49.89 -57.42 7.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 107.985 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.403 ' HG3' HG22 ' A' ' 101' ' ' VAL . 84.5 mt-30 -48.99 -51.61 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -54.63 -37.45 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.84 -31.09 64.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.26 -60.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.37 -33.81 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.45 -34.76 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.93 HD23 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -50.05 -29.5 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 172.47 52.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.654 HE21 ' CE1' ' A' ' 62' ' ' HIS . 3.3 mm100 63.39 11.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.618 ' CD2' HD22 ' A' ' 56' ' ' LEU . 9.7 m-70 -139.86 116.48 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -169.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -79.44 88.39 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 163.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.93 HD12 HD23 ' A' ' 111' ' ' LEU . 50.8 mt -89.4 107.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -171.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 66' ' ' ILE . 40.2 mtpt -84.56 102.02 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 171.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.64 ' CH2' HD13 ' A' ' 67' ' ' LEU . 87.2 m95 -78.25 98.66 5.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -94.63 91.74 6.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.624 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 54.2 m95 -79.46 105.88 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.049 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.86 -178.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -85.85 133.92 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.48 -40.47 59.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -78.25 -56.07 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.59 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -91.38 51.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . -71.74 -113.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.434 ' CG ' ' C ' ' A' ' 126' ' ' GLY . 0.0 OUTLIER -155.71 167.74 13.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.615 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.3 6.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -59.74 -56.74 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.484 HD22 ' HD1' ' A' ' 8' ' ' PHE . 4.4 m120 -55.58 -36.24 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.12 -35.08 80.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -66.78 -49.51 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.75 -28.33 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.296 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.37 -40.03 89.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.74 -39.13 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.08 -43.88 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 21' ' ' GLY . . . -59.92 -43.4 94.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 43.6 mtm180 -64.05 -39.33 93.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.97 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.492 ' HB1' ' HA2' ' A' ' 38' ' ' GLY . . . -64.21 -35.72 81.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 138' ' ' ARG . . . -57.03 -38.13 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 25.9 mmt -79.47 -25.4 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -144.26 78.36 13.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.3 m -156.78 -49.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' THR . 20.2 mt -81.47 -168.48 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -149.53 158.47 44.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.59 97.69 5.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.5 m -87.42 -42.22 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -92.18 49.57 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -104.72 147.71 27.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 111.039 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -146.92 -81.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 47.6 t 60.39 60.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -155.71 165.4 36.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 96' ' ' LYS . 14.5 p . . . . . 0 C--O 1.25 1.11 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.316 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.496 0.188 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 136.78 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -84.57 64.8 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -174.1 128.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 66' ' ' ILE . 12.1 t -81.47 131.3 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -112.54 101.56 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.595 HD12 ' CG1' ' A' ' 65' ' ' VAL . 70.7 mt -104.14 121.23 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -173.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -129.47 107.22 9.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -86.81 148.0 25.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -160.25 97.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 140.36 42.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.065 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.638 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 1.7 t -108.81 36.35 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.011 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.32 111.65 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 108.296 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.17 -41.06 20.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.98 -148.71 23.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -175.49 76.98 0.3 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.278 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.0 41.0 Favored 'Cis proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -6.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.97 174.14 46.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.29 -152.69 5.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.87 -150.16 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 37' ' ' ALA . 16.4 p90 -146.58 133.12 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 111.001 177.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.07 123.8 4.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -137.76 124.09 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.589 HD12 ' SG ' ' A' ' 133' ' ' CYS . 72.0 mt -80.58 118.05 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' CE2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -122.42 94.41 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -78.98 124.27 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -114.88 -165.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -55.79 97.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -171.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.33 34.27 18.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -158.99 116.99 2.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.29 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.96 108.43 10.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 mtmt -105.45 113.31 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.541 ' CG2' HD13 ' A' ' 136' ' ' LEU . 22.6 m -101.47 141.74 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.975 ' CE2' HD22 ' A' ' 26' ' ' LEU . 14.9 m-85 -126.22 94.61 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.994 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 t -131.82 81.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . . . -91.73 151.81 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 156.61 15.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -135.92 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.983 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 144' ' ' PRO . 41.6 p -85.65 -35.86 20.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -175.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -164.51 114.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.91 163.3 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 p -92.05 172.85 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -77.4 -43.12 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.604 ' ND2' ' CD1' ' A' ' 73' ' ' TYR . 3.6 m-20 -57.92 -53.21 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -56.54 -42.02 77.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.5 mmt -73.03 -35.54 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.2 -46.74 75.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.631 HD11 ' CZ2' ' A' ' 104' ' ' TRP . 10.4 mt -59.27 -56.83 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 52.6 tpp -47.51 -38.2 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -61.31 -59.63 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -57.88 -49.64 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.62 -57.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' MET . 53.4 t -52.23 -38.87 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -55.46 -48.2 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 177.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 114' ' ' HIS . 7.0 mt -73.33 -33.85 65.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 37.6 mt-10 -55.32 -49.88 71.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -52.77 -38.68 61.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.6 mt -71.29 133.99 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -141.4 52.67 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -175.39 170.67 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.18 76.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -161.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -168.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -141.64 107.3 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 172.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 7' ' ' ILE . 73.7 t -107.07 135.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -167.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 117' ' ' LYS . 4.1 tp -114.2 96.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 168.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 68' ' ' SER . 1.4 tt -85.83 141.01 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -173.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.436 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.9 t -136.02 121.0 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -160.36 175.32 12.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -138.19 31.99 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -80.34 116.46 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.26 -33.82 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' CD1' ' ND2' ' A' ' 45' ' ' ASN . 18.5 t80 -58.46 -42.03 86.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.54 -42.5 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.36 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -46.32 -57.85 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.25 -44.7 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.26 -54.12 13.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 82' ' ' ILE . 47.9 mm -68.28 -70.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.58 0.812 . . . . 0.0 109.312 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -94.99 40.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -164.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -159.48 -52.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.458 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 45.8 m0 -81.97 -43.63 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.054 -170.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 78' ' ' ILE . 83.7 mt -75.69 -35.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -175.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -58.39 -40.35 82.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -86.3 -45.7 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.458 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 50.1 m0 -60.99 -58.13 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.019 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.34 -57.6 10.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -52.07 -52.51 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -53.47 -32.23 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.33 43.82 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.6 m95 56.51 78.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 85' ' ' TRP . 65.8 mttt -145.93 -169.69 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.6 p -132.79 -61.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -157.25 -72.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -96.16 45.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.3 mttt 59.02 90.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -151.2 162.01 28.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 110.965 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.0 156.64 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -79.57 132.13 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 58.56 38.87 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.57 -34.81 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -56.02 -48.79 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 150' ' ' GLY . 24.2 mt -73.34 -32.73 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -175.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CZ2' HD11 ' A' ' 49' ' ' LEU . 69.7 m95 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -54.44 -48.15 72.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 10.4 ttt180 -57.62 -38.46 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 78' ' ' ILE . 23.4 tp -65.68 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.51 -47.89 48.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -172.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.31 86.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.05 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.47 -23.56 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.36 47.5 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -137.64 -50.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -107.06 163.37 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -168.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -78.57 106.73 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 118' ' ' TRP . 48.2 mm -81.4 110.83 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.5 ' HB3' HD12 ' A' ' 66' ' ' ILE . 8.4 tppt? -98.35 103.82 15.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.509 ' CE2' HG21 ' A' ' 116' ' ' ILE . 97.3 m95 -77.8 92.02 4.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 -177.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -97.35 89.1 4.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -83.32 121.2 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.799 HG21 ' CE1' ' A' ' 127' ' ' HIS . 6.2 m -86.01 171.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -174.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.32 67.4 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.67 89.38 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 125' ' ' ALA . 38.5 p-80 -150.84 -55.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 174.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.416 ' N ' ' CD2' ' A' ' 124' ' ' HIS . . . -98.51 27.0 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.477 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . 46.68 -165.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.799 ' CE1' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -158.05 169.09 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.638 176.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.72 5.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -67.18 -53.03 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -64.01 -36.16 83.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -55.05 -45.25 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -65.8 -37.33 85.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.589 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.9 m -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 108.296 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 137' ' ' ALA . 20.1 t0 -59.1 -42.37 90.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.7 -48.25 78.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.541 HD13 ' CG2' ' A' ' 34' ' ' THR . 8.0 mt -58.81 -42.23 88.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -52.22 -48.35 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -56.74 -43.06 80.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.85 -39.71 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.79 56.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.24 -32.65 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 15.0 mmt -94.28 36.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -155.69 67.96 4.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 -9.17 20.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -170.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 p -95.8 88.97 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.452 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -150.93 -170.14 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.33 113.07 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -81.99 88.56 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -100.72 -41.62 6.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 103' ' ' LEU . . . -56.69 -49.1 72.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -103.37 102.09 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -155.89 159.22 39.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 57.9 t -85.71 64.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -79.17 -69.03 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.287 -179.711 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.492 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 64.33 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -126.5 58.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -152.25 150.26 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG22 ' A' ' 65' ' ' VAL . 2.6 t -85.96 116.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.51 105.85 12.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -164.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 55' ' ' ALA . 40.1 mm -109.73 78.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -170.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.73 104.96 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.4 p -100.72 150.03 23.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -160.2 124.44 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 174.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.58 145.99 16.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -161.39 127.92 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.7 t -114.4 148.62 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 108.297 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -129.46 64.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -176.524 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.63 -143.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -170.71 78.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -66.7 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 5.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 173.01 22.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.043 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA3' HG23 ' A' ' 42' ' ' THR . . . -64.73 152.21 50.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -172.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.45 116.7 5.3 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -104.24 120.43 41.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -176.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -140.09 111.32 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 35' ' ' PHE . . . -142.83 98.29 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 175.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.89 102.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 7' ' ' ILE . 3.4 tt -101.29 96.64 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.67 102.02 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.41 174.91 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -49.52 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.7 32.32 24.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -149.16 87.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.81 109.66 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -117.09 131.81 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 37.2 m -96.57 145.41 25.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.66 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 21.8 m-85 -141.26 90.71 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -151.14 70.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -171.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.57 -168.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 127.27 2.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.64 174.68 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 111.001 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -99.36 -46.14 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.22 92.11 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -172.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.429 HG23 ' HA3' ' A' ' 20' ' ' GLY . 1.4 t -162.55 143.03 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -82.58 173.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.33 -38.82 71.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -54.93 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -178.469 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 151' ' ' TYR . 15.2 ptm180 -61.5 -28.94 69.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.3 mmt -53.63 -63.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 28.0 mt-10 -54.29 -38.41 65.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 104' ' ' TRP . 1.3 mt -51.64 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.45 ' HB3' HD13 ' A' ' 103' ' ' LEU . 5.1 ptp -64.92 -24.11 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -52.06 -59.06 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 174.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.2 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 103' ' ' LEU . 38.9 mt -55.96 -60.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 76.7 t -59.79 -26.71 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -66.12 -52.9 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 171.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 65' ' ' VAL . 8.7 mt -60.38 -34.04 73.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -80.32 -32.01 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -57.9 -42.12 84.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 61' ' ' GLU . 1.2 pp -57.29 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -158.58 31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.539 ' H ' HD12 ' A' ' 59' ' ' LEU . 17.0 mt-10 -156.12 111.88 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.43 84.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.866 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m -141.82 162.1 36.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -165.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -46.52 130.6 11.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.24 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 63' ' ' CYS . 49.3 t -135.32 131.23 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 tt -99.43 145.47 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.4 OUTLIER -131.73 90.97 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -172.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 m -80.91 105.45 12.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -142.59 169.59 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.63 46.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -100.61 146.58 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.67 -34.27 40.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.512 ' OH ' HD12 ' A' ' 49' ' ' LEU . 12.9 t80 -70.48 -47.41 60.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -68.97 -57.23 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -47.13 -47.52 23.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.54 -56.98 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.69 -40.73 18.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' A' ' 82' ' ' ILE . 22.6 mt -79.85 -69.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 HG22 ' A' ' 78' ' ' ILE . 82.1 p -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -168.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.62 -48.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -90.41 -58.79 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 78' ' ' ILE . 13.5 mt -56.99 -35.2 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -167.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -57.69 -38.95 76.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -85.61 -44.33 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -58.92 -46.73 87.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -57.18 -60.88 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.96 -44.56 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -50.66 -30.5 13.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.49 38.46 1.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.9 m95 57.52 47.06 16.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -142.34 142.97 32.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 98' ' ' VAL . 41.5 p -93.26 -34.6 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.74 -163.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.59 90.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 66.02 58.91 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -133.29 155.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 92' ' ' THR . 95.0 t -100.29 149.06 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 176.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.92 125.34 27.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.427 ' ND2' HD13 ' A' ' 49' ' ' LEU . 43.7 t-20 58.96 53.3 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.245 -177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.1 -38.43 71.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.65 -56.24 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 53' ' ' ILE . 68.1 mt -63.07 -40.3 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.743 ' CZ3' HD11 ' A' ' 82' ' ' ILE . 7.0 m95 -59.21 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -52.94 -41.47 64.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' HG21 ' A' ' 53' ' ' ILE . 99.4 mtt180 -62.08 -34.71 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' CG1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -58.86 -59.51 5.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 173.069 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.98 -46.8 76.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -171.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.2 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.95 -36.92 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.589 ' HA ' HD13 ' A' ' 116' ' ' ILE . 6.8 mt -56.06 -32.35 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.61 52.2 2.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -174.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.0 -53.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.312 169.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 1.3 p-80 -125.66 -178.04 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -89.63 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 173.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 116' ' ' ILE . 4.0 mp -87.89 92.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 174.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -83.79 106.89 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.681 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 36.3 m95 -84.06 97.78 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 -171.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.95 102.4 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.432 ' CZ2' ' CB ' ' A' ' 118' ' ' TRP . 16.5 m95 -84.76 110.03 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.531 HG12 ' HB3' ' A' ' 125' ' ' ALA . 21.8 m -100.54 154.46 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -155.38 67.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.94 -55.76 4.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.23 -53.48 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.643 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.531 ' HB3' HG12 ' A' ' 121' ' ' VAL . . . -89.89 56.69 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.435 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . -98.62 157.86 20.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.49 ' CD2' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -157.08 170.4 9.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 0.0 109.58 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.09 6.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 110.969 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.38 -45.09 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -54.46 -44.35 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.96 -38.44 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -67.9 -35.03 77.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 39.2 m -61.95 -50.72 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.88 -47.34 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.76 -42.36 71.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.23 -38.85 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -34.33 66.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.35 80.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.0 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -56.09 -42.31 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.91 35.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -161.2 80.87 2.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 36.3 p -150.37 -56.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.42 178.99 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.03 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -88.3 133.78 33.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 149' ' ' THR . 14.3 t -101.12 41.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.68 -45.68 0.59 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' TYR . . . . . 0.483 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 3.0 m-30 -94.47 179.14 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 110.986 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 62.17 33.64 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 23.3 m -151.72 43.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.44 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.956 -1.497 . . . . 0.0 109.27 -179.446 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.466 0.174 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 mt -83.8 133.12 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -84.17 64.02 8.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -160.04 -178.64 7.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' ILE . 11.6 t -87.75 131.68 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -125.44 138.9 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 65' ' ' VAL . 63.0 mt -132.84 103.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -177.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.72 104.2 14.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.0 p -90.94 143.34 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.415 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -160.3 97.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.36 162.65 33.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.2 p -152.67 91.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.42 130.91 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.288 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.2 -43.18 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.7 -146.48 15.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.107 . . . . 0.0 110.983 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -176.38 76.35 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.31 68.77 Favored 'Cis proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -2.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.41 173.54 43.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.46 -164.19 9.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 177.73 35.7 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 31.2 p90 -123.99 98.72 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.85 121.33 6.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -145.64 135.0 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.45 HD12 ' SG ' ' A' ' 133' ' ' CYS . 89.1 mt -88.64 158.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 35' ' ' PHE . 7.2 tp -135.61 153.17 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -135.39 90.21 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE1' HD22 ' A' ' 59' ' ' LEU . 1.9 t80 -113.13 124.07 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 63.56 -154.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.35 30.62 4.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -140.12 133.04 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 110.277 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -87.9 144.35 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -131.76 178.23 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 136' ' ' LEU . 47.6 m -151.79 154.07 35.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.742 ' CE2' HD22 ' A' ' 26' ' ' LEU . 24.0 m-85 -140.04 93.72 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -135.35 86.11 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 140' ' ' ALA . . . -90.18 -175.86 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.71 120.38 2.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -101.48 155.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.021 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 146' ' ' LEU . 31.4 p -83.58 -47.18 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -142.54 109.53 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.18 164.42 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -98.68 176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.12 -41.76 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.624 ' ND2' ' CD1' ' A' ' 73' ' ' TYR . 2.9 m120 -53.89 -59.9 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -52.62 -38.67 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -54.9 37.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.68 -45.16 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD2' HD22 ' A' ' 107' ' ' LEU . 10.0 mt -60.4 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.414 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 tpp -54.36 -33.33 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -68.85 -51.03 44.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.86 87.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.2 mt -68.59 -59.75 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' MET . 56.1 t -52.64 -43.02 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -175.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 65' ' ' VAL . 50.9 mt -61.13 -46.54 90.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 24.0 mt-10 -56.84 -40.18 75.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -56.89 -36.34 70.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 28' ' ' TYR . 36.4 mt -54.85 128.33 32.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -99.11 26.92 5.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 178.86 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -55.88 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.1 m -131.01 174.74 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.268 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -46.28 135.23 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 63' ' ' CYS . 11.7 t -137.28 133.71 46.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.9 tt -117.37 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.2 tt -82.65 140.55 33.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.3 t -132.5 123.34 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -169.38 -169.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -159.65 34.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -80.79 136.98 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -72.56 -38.26 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.624 ' CD1' ' ND2' ' A' ' 45' ' ' ASN . 12.8 t80 -56.16 -39.43 72.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.62 -49.34 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -47.73 -57.79 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.64 -50.71 19.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CE3' ' A' ' 81' ' ' TRP . . . -47.43 -43.43 20.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 82' ' ' ILE . 36.5 mm -76.36 -72.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 p -67.06 -29.04 68.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -167.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -58.0 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 -168.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.536 ' HA ' HD21 ' A' ' 84' ' ' ASN . 51.2 m0 -77.43 -44.67 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -165.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 tt -49.76 -35.22 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -172.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.448 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 9.2 t-80 -58.32 -72.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.536 HD21 ' HA ' ' A' ' 81' ' ' TRP . 6.9 p30 -57.36 -38.98 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -177.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -57.96 -63.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -55.35 -55.64 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 83' ' ' HIS . 45.8 mttm -50.66 -52.67 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -177.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -51.74 -31.05 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.42 41.71 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.3 m95 56.52 47.73 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -150.11 -179.34 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.7 p -91.12 -171.86 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.92 -36.09 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.9 32.93 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mttt 50.99 90.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -160.06 168.15 12.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.72 28.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.67 151.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -76.87 130.11 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 59.78 38.93 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.44 -40.15 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.37 -49.87 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.16 -35.6 81.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 49' ' ' LEU . 21.4 m95 -61.21 -56.07 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -48.75 -49.25 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 9.1 ttt180 -54.11 -39.04 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 49' ' ' LEU . 32.2 tp -72.02 -67.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.2 -43.64 42.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.13 89.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.11 75.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -57.95 -32.35 67.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.77 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -148.55 -52.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 176.2 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.618 -173.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -79.92 109.8 14.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.02 132.06 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -126.74 99.24 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.2 m95 -79.89 111.2 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.01 87.25 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -79.93 115.5 19.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.411 HG11 ' CE1' ' A' ' 127' ' ' HIS . 28.7 m -116.85 159.46 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 124' ' ' HIS . 70.5 mmtt -83.33 136.72 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.17 78.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.425 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 27.5 p80 -71.11 -52.74 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' CG ' ' A' ' 124' ' ' HIS . . . -90.56 53.64 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -92.76 176.31 37.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.411 ' CE1' HG11 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -95.72 168.4 10.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.569 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -35.51 3.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.0 -41.07 77.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.17 -44.16 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -57.48 -39.15 75.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -67.05 -34.66 78.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.8 m -59.79 -52.39 65.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.263 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.43 -41.39 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -52.18 -45.17 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.503 HD13 HG21 ' A' ' 34' ' ' THR . 11.0 mt -68.89 -40.16 79.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.64 76.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.9 ttm105 -66.86 -49.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.72 88.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -72.16 -37.21 69.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.49 69.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 32.5 tpp -94.93 35.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -160.23 77.25 2.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 85.6 m -104.8 -34.45 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.456 HD12 ' HB1' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -86.42 -168.08 2.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -177.421 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -139.62 155.43 47.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.36 123.13 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.0 m -53.44 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.83 39.14 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -47.8 133.35 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -156.02 137.46 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.35 65.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.38 -45.6 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.989 -1.481 . . . . 0.0 109.271 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.555 0.217 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.6 mt -82.91 108.69 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -84.15 60.63 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -165.19 154.53 12.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 59' ' ' LEU . 11.9 t -79.96 133.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -120.31 142.03 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.566 HD12 HG11 ' A' ' 65' ' ' VAL . 67.7 mt -134.94 101.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD2' ' OG ' ' A' ' 68' ' ' SER . 79.4 m-85 -101.7 103.21 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 52' ' ' ALA . 75.8 p -87.61 142.54 27.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.383 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 11.6 t0 -160.37 90.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 172.99 53.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.583 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 3.9 t -157.17 109.64 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.945 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 p -132.09 151.05 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 19' ' ' PRO . 3.6 mt -80.43 -53.7 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.36 100.23 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 53.66 90.1 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -78.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -5.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.95 79.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.02 61.62 5.72 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.74 -150.18 9.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.02 -174.16 22.4 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 32.1 p90 -122.75 99.79 6.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 111.02 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.34 104.33 2.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -130.72 114.65 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.306 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.507 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.0 mt -92.92 102.03 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -101.2 119.51 38.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -177.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 26' ' ' LEU . 21.8 ttm-85 -101.59 125.82 48.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -105.44 -164.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -53.54 96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.02 42.11 15.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -158.67 110.13 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.3 143.33 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -140.34 146.54 38.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 m -110.39 143.35 40.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 7.0 m-85 -144.16 89.24 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -151.61 95.98 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.045 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.16 -171.63 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.41 114.03 2.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -104.42 129.43 52.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 111.021 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 146' ' ' LEU . 18.9 p -78.63 -25.4 45.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -146.02 107.17 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 164.7 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -114.49 -166.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.11 -55.1 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 73' ' ' TYR . 4.9 m-20 -52.73 -38.22 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -177.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH2' HD11 ' A' ' 103' ' ' LEU . 44.2 mtp85 -65.38 -60.37 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.5 mmt -55.93 -45.3 78.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -51.3 -53.48 35.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 104' ' ' TRP . 14.2 mt -59.54 -53.29 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.8 tpp -48.23 -40.99 26.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -60.18 -68.87 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -55.93 -43.15 77.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -176.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.48 -59.52 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' MET . 24.3 t -46.72 -41.64 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.09 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 7' ' ' ILE . 27.0 mt -63.18 -42.68 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -55.99 -43.77 77.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.23 54.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 5' ' ' VAL . 7.5 mt -72.57 102.58 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -100.89 54.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -176.52 156.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' A' ' 113' ' ' GLN . 2.6 m-70 -80.43 112.21 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 114' ' ' HIS . 24.0 m -143.28 -146.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 -178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -123.89 165.93 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 7' ' ' ILE . 56.4 t -152.97 149.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -176.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 5' ' ' VAL . 8.0 tt -130.25 99.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 67' ' ' LEU . 7.5 tt -84.11 134.71 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -175.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.411 ' OG ' ' CD2' ' A' ' 8' ' ' PHE . 9.5 p -124.71 124.73 42.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.3 t -166.83 -169.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.75 32.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -90.35 105.44 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.23 -34.29 63.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' CE1' ' ND2' ' A' ' 45' ' ' ASN . 3.9 t80 -52.66 -43.19 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.88 -53.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -45.12 -46.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -69.1 -67.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -43.69 -37.41 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 79' ' ' THR . 13.5 mm -67.9 -75.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 78' ' ' ILE . 41.6 p -69.12 -28.71 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -66.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.415 ' CG ' ' HA2' ' A' ' 77' ' ' GLY . 50.5 m0 -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 107.997 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.5 tt -49.53 -35.97 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -59.07 -72.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -56.57 -39.64 73.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -58.08 -72.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -52.93 39.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -48.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -49.64 -29.27 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.6 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.1 m95 52.74 47.78 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -150.54 179.91 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.5 p -93.36 -172.46 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.77 42.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 95' ' ' LYS . 4.4 p-10 -97.24 39.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' ASP . 49.9 pttt 38.97 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -148.34 166.37 15.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.88 29.55 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.97 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.3 t -85.94 150.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -76.19 128.34 34.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 60.51 39.44 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.24 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.72 -47.17 87.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.446 HD11 ' NH2' ' A' ' 46' ' ' ARG . 32.6 mt -68.7 -38.72 80.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 49' ' ' LEU . 16.6 m95 -62.7 -47.74 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.019 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -52.26 -55.67 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.08 -38.71 65.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 21.3 tp -62.74 -42.19 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.42 -56.0 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.27 -40.43 71.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 114' ' ' HIS . . . -68.21 -31.21 70.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 116' ' ' ILE . 1.1 mt -74.63 -10.43 59.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.13 -37.12 25.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 62' ' ' HIS . 8.9 mt-30 -78.22 -70.15 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -93.34 153.11 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -170.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -91.8 100.98 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.69 HD12 HD23 ' A' ' 111' ' ' LEU . 4.4 mt -87.53 113.18 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HE2' HD12 ' A' ' 66' ' ' ILE . 30.7 ttpt -79.87 113.79 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 120' ' ' TRP . 74.8 m95 -79.32 90.64 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.026 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -91.94 89.72 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 118' ' ' TRP . 8.7 m95 -79.93 112.75 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.5 m -111.27 140.99 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -85.49 174.0 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.45 -36.5 63.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -59.13 -40.96 87.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.63 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -90.34 53.08 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.88 120.85 6.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.83 168.57 10.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.583 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -57.8 -45.78 85.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -63.1 -42.15 99.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -54.02 -37.65 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.83 -35.38 67.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.507 ' SG ' HD12 ' A' ' 25' ' ' ILE . 61.4 m -59.02 -45.1 91.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -63.09 -44.77 94.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.11 -42.11 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.93 -42.29 73.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -58.03 -44.48 87.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -76.77 -50.63 13.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.93 67.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.83 64.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.19 -34.36 68.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 14.3 mmt -93.36 32.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -160.3 78.17 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.07 29.69 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.4 p -149.32 -50.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 40' ' ' THR . 10.6 mt -97.03 -177.13 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -137.78 151.85 48.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 110.305 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -79.77 120.35 23.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 94.1 m -92.7 -34.65 13.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -93.71 44.96 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -109.67 104.12 13.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -155.95 106.94 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.94 68.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.2 -69.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.486 ' OXT' HG12 ' A' ' 155' ' ' VAL . 60.4 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.041 -1.456 . . . . 0.0 109.294 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.531 0.205 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.5 135.08 34.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.79 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 66' ' ' ILE . 32.8 tt0 -172.64 147.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 66' ' ' ILE . 59.0 t -84.69 142.09 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 27' ' ' ARG . 38.9 mt-10 -126.89 137.02 53.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 65' ' ' VAL . 74.2 mt -135.79 94.91 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -98.33 106.26 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -100.38 146.85 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.441 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -160.68 97.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.14 161.42 41.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -157.94 87.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.974 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.23 136.19 33.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.288 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.17 -35.9 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.12 -152.8 8.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -170.19 76.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 43' ' ' THR . 18.2 Cg_endo -75.0 169.82 73.54 Favored 'Cis proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -0.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.69 173.74 46.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.046 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 141' ' ' ALA . . . -144.37 -165.22 10.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.43 163.95 36.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' O ' ' HA ' ' A' ' 36' ' ' SER . 50.7 p90 -113.28 126.54 55.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 36' ' ' SER . . . -102.59 116.12 5.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.3 102.55 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.644 HD12 ' SG ' ' A' ' 133' ' ' CYS . 79.9 mt -85.1 114.59 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 6' ' ' GLU . 11.0 tp -91.79 155.93 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 19.5 ttm-85 -141.77 98.84 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.73 -164.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -55.94 91.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.97 28.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -158.05 107.13 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -80.4 140.31 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -143.65 130.14 20.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 m -94.13 150.76 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -147.52 98.37 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 9.4 t -161.6 97.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.93 173.05 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.91 163.52 15.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -147.61 149.4 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.967 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 146' ' ' LEU . 33.6 p -94.95 -29.84 14.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -146.29 97.34 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 t -149.34 170.14 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 17' ' ' PRO . 46.3 p -123.98 170.68 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.7 -41.41 97.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 45.6 m-20 -59.11 -53.49 57.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -56.99 -49.11 76.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.6 mmt -61.35 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.21 -52.98 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 53' ' ' ILE . 20.1 mt -60.96 -49.84 75.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.781 ' O ' HG23 ' A' ' 54' ' ' VAL . 59.8 tpp -51.32 -35.45 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -177.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 22' ' ' TYR . . . -64.46 -55.82 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 67' ' ' LEU . . . -66.31 -37.36 85.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 49' ' ' LEU . 65.4 mt -71.93 -45.9 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 50' ' ' MET . 75.3 t -63.04 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.53 83.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD21 HG11 ' A' ' 65' ' ' VAL . 48.2 mt -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.06 -36.5 68.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.83 73.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 5' ' ' VAL . 49.9 mt -62.56 121.42 13.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -102.8 38.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.49 112.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 113' ' ' GLN . 32.3 m170 -55.77 112.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.747 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 64.7 m -147.26 175.42 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.1 138.04 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.619 ' CG1' HD12 ' A' ' 7' ' ' ILE . 72.2 t -131.91 130.64 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 5' ' ' VAL . 12.0 tt -116.74 112.53 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' SER . 1.1 tt -93.74 145.59 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 8.7 t -140.01 115.57 10.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.076 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -165.9 145.95 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -92.6 38.24 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -87.4 119.88 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -80.81 -39.72 26.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.493 ' O ' ' HA3' ' A' ' 77' ' ' GLY . 15.2 t80 -57.75 -37.93 74.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.963 ' O ' HG12 ' A' ' 78' ' ' ILE . 64.6 t -81.87 -41.79 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.531 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 75.8 ttt180 -57.38 -56.99 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.917 ' O ' ' CB ' ' A' ' 80' ' ' GLN . 36.0 mt-30 -74.18 -44.9 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -53.57 -33.43 47.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 1.402 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 37.7 mm -79.8 -66.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -96.04 35.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.917 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -147.66 -53.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 178.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HB3' ' CZ3' ' A' ' 85' ' ' TRP . 34.4 m0 -90.78 -42.98 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.402 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 12.7 tt -68.63 -34.64 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -50.65 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.585 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 24.7 m-80 -71.47 -30.85 66.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.993 ' O ' ' HA ' ' A' ' 90' ' ' TRP . 51.3 m0 -81.86 -5.78 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 107.991 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 82' ' ' ILE . 32.4 ttpt -92.33 -80.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 165.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 88' ' ' ARG . 55.2 tttm -47.89 -59.54 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -164.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 1.2 mmt180 -44.47 -97.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.57 5.17 5.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.993 ' HA ' ' O ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER 72.43 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.801 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 80.7 tttt -152.97 166.94 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -171.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 96' ' ' LYS . 36.0 p -73.21 142.59 47.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -173.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.52 63.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 95' ' ' LYS . 24.4 p-10 -85.8 48.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -176.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER 30.35 63.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.778 ' C ' ' HE3' ' A' ' 91' ' ' LYS . 43.2 mttm -141.09 170.41 9.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 18.3 Cg_endo -75.01 145.68 31.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.801 ' CG2' ' HA ' ' A' ' 91' ' ' LYS . 98.8 t -77.72 148.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 175.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 25.5 tptp -69.71 118.69 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 57.48 45.81 19.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.68 -40.78 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.33 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 mt -71.78 -36.22 70.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.768 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 24.2 m95 -57.11 -50.75 71.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.015 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -51.22 -47.14 62.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -59.96 -38.46 82.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.3 tp -73.83 -56.73 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.57 -43.72 76.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 113' ' ' GLN . . . -65.2 -47.0 78.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.7 98.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.9 -37.46 87.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.81 53.52 4.86 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.047 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 71.9 mm-40 -144.69 -58.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.284 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.747 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -110.58 -178.12 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.586 -178.086 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -78.59 144.43 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.4 mm -121.1 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HB3' HG13 ' A' ' 66' ' ' ILE . 12.2 tppt? -120.78 98.35 5.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 175.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.644 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 98.3 m95 -80.48 95.01 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.035 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -92.91 89.59 6.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.644 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 33.8 m95 -82.87 102.03 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.028 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.02 168.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -82.77 130.29 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.21 94.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -75.58 -56.36 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.578 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -90.26 52.24 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -95.69 -167.61 35.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.23 167.98 11.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.627 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.84 5.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -54.32 -40.06 67.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -58.78 -42.96 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.38 -39.81 80.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -69.44 -35.67 75.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 25' ' ' ILE . 74.7 m -59.07 -46.58 87.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 108.343 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.48 -43.99 89.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.86 -39.89 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.38 -50.63 69.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.98 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 142' ' ' MET . 25.5 ttm105 -65.29 -38.04 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.48 94.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.32 28.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.494 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . . . -59.8 -39.1 83.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 138' ' ' ARG . 93.3 mmm -78.63 -28.49 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.62 77.04 40.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 145' ' ' THR . 97.9 m -151.56 38.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 40' ' ' THR . 4.1 mt -156.18 -164.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -142.11 153.0 43.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.38 99.69 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.3 m -94.91 84.92 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 165.27 -34.27 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -100.77 107.99 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 110.963 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -154.51 167.28 30.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.84 63.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -155.73 -58.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 80.6 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 117.034 -1.46 . . . . 0.0 109.301 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.519 0.2 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt -84.85 109.45 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -97.47 66.82 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -159.45 151.26 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.248 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 66' ' ' ILE . 4.3 t -86.66 133.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -126.8 140.05 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 65' ' ' VAL . 54.9 mt -136.24 86.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -176.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.81 102.93 14.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.6 p -82.37 149.6 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 5.9 p-10 -160.5 90.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.02 158.35 29.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 2.5 t -155.79 124.25 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -135.23 133.94 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 108.239 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.48 -31.31 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.6 -155.63 9.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -167.14 77.94 0.99 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.02 65.13 Favored 'Cis proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -0.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.0 172.57 44.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.19 16.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.68 -157.5 10.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.98 170.24 35.36 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.688 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 32.5 p90 -123.78 97.7 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 111.001 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.13 21.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.58 118.54 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.718 HD12 ' SG ' ' A' ' 133' ' ' CYS . 56.7 mt -83.29 112.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 150.48 21.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -130.9 91.63 3.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -109.39 122.22 46.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 63.01 -153.77 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -171.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 28.37 4.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.6 128.26 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -88.69 140.18 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -130.03 174.75 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 m -146.57 145.74 30.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 38.3 m-85 -137.09 99.79 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -142.07 84.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 146' ' ' LEU . . . -90.51 -173.82 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.1 171.95 15.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -150.57 154.35 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 111.017 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.9 p -92.08 -31.47 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -155.0 111.84 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -160.18 164.78 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.8 p -101.8 168.63 9.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.65 -42.87 81.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 23.9 m-20 -65.58 -44.57 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -177.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' NH1' HD11 ' A' ' 103' ' ' LEU . 55.9 mtp85 -55.09 -39.51 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -57.4 13.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 41.0 mt-10 -48.45 -45.17 36.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 104' ' ' TRP . 14.4 mt -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 34.5 tpp -42.51 -37.43 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -61.23 -62.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.7 83.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.3 -58.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 55.6 t -60.32 -31.58 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -174.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -56.06 26.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 65' ' ' VAL . 70.3 mt -58.29 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.96 -38.57 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -55.25 -37.21 66.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.17 138.33 7.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -96.42 25.81 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.03 127.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -74.74 101.92 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 31.6 m -136.44 175.92 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.266 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.98 139.68 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 56' ' ' LEU . 10.6 t -138.63 126.59 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.515 HD12 ' CE ' ' A' ' 117' ' ' LYS . 12.9 tt -107.35 118.17 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 173.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.9 OUTLIER -101.61 132.8 47.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.34 128.77 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -170.01 -172.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -153.64 32.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 t -78.39 137.76 38.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -81.93 -33.85 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 45' ' ' ASN . 86.5 t80 -63.34 -39.3 94.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.15 -56.39 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -45.54 -52.41 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 38.2 mt-30 -71.94 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' TRP . . . -41.18 -33.91 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 82' ' ' ILE . 31.5 mm -86.01 -66.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -172.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.5 p -93.96 41.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -153.18 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 172.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.479 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 42.3 m0 -88.08 -38.01 15.78 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -173.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 78' ' ' ILE . 57.4 mt -87.17 -31.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -57.78 -33.98 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.74 -50.66 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.479 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 39.9 m0 -51.92 -53.59 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -48.36 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -50.67 -49.37 57.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -49.38 -29.41 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.23 39.05 1.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 m95 53.29 57.08 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -135.14 -178.8 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -128.05 -53.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.84 -73.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' C ' ' HG2' ' A' ' 95' ' ' LYS . 22.0 t70 -88.09 56.27 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER 44.93 31.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.46 160.44 64.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.81 42.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 111.014 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.72 153.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HD2' HG13 ' A' ' 153' ' ' VAL . 29.6 ttpp -79.2 130.58 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.96 40.23 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.95 -30.79 50.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.72 -54.35 47.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.437 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.8 mt -70.9 -40.55 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 82' ' ' ILE . 21.4 m95 -59.41 -52.07 67.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 107.956 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -52.2 -51.57 57.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 4.5 ttp180 -54.31 -34.78 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.62 -70.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.35 -46.59 47.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.77 96.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 106' ' ' ARG . . . -65.48 -43.86 88.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.43 -28.97 67.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.37 4.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -148.02 -52.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.497 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -113.91 176.66 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 -171.12 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -81.15 105.5 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.455 HG21 ' NE1' ' A' ' 118' ' ' TRP . 45.3 mm -81.78 134.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.515 ' CE ' HD12 ' A' ' 66' ' ' ILE . 23.7 ttpt -128.78 95.76 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.629 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 97.7 m95 -78.33 119.53 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 -175.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -117.62 85.91 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.353 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.629 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 1.8 m95 -83.74 142.51 30.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 107.984 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER -119.79 166.6 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 174.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 124' ' ' HIS . 55.5 mmtt -79.26 32.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 121' ' ' VAL . . . -57.96 85.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 -161.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 122' ' ' LYS . 7.3 p80 -106.79 -34.86 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.563 167.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.51 -116.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 161.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.24 136.29 2.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -83.94 169.56 16.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.636 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.49 9.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.82 -64.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -48.61 -33.9 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.25 -56.34 23.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.251 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -56.99 -31.4 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 25' ' ' ILE . 34.0 m -67.73 -49.87 60.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.261 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.46 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.99 -44.04 97.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 10' ' ' ASP . . . -57.21 -56.18 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -58.71 -35.56 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.69 83.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.05 -35.75 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.17 56.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 91.4 mmm -95.51 35.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -158.1 71.22 4.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.5 p -148.98 56.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.706 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.5 mt -159.87 143.98 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -80.01 146.44 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.75 167.18 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.5 m -89.19 -75.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -149.8 38.23 0.93 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -54.92 107.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.985 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -156.01 163.2 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 99' ' ' LYS . 58.7 t -147.53 66.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.58 -53.92 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.986 -1.483 . . . . 0.0 109.342 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -83.45 71.46 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -162.78 151.49 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 66' ' ' ILE . 5.6 t -84.14 133.11 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.01 140.2 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.445 HD12 HG11 ' A' ' 65' ' ' VAL . 50.7 mt -136.02 86.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -89.92 104.25 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -91.54 142.52 27.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.37 108.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.84 53.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 3.1 p -132.85 40.26 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.006 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.8 t -86.06 117.71 25.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.73 -36.97 18.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.06 -147.93 16.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -176.6 76.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.329 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.24 53.72 Favored 'Cis proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -4.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.4 171.06 43.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.2 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.24 -159.7 8.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.73 -149.53 5.72 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p90 -150.15 122.53 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 111.023 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.85 132.06 9.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -140.75 139.91 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.1 mt -93.06 111.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.647 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -94.94 140.67 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -123.52 100.82 7.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -111.67 -165.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -175.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -54.81 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.2 34.61 8.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -159.06 108.91 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.284 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.5 108.85 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.307 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -97.41 146.96 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -122.51 144.97 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 58' ' ' ALA . 35.7 m-85 -136.71 93.57 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.29 94.24 3.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . . . -89.4 179.35 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 106.82 0.48 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.93 174.5 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.033 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 p -107.08 -34.34 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -152.75 106.27 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.448 HG21 ' SD ' ' A' ' 47' ' ' MET . 2.1 t -160.02 165.89 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.6 p -98.81 150.11 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -57.29 -41.31 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.457 HD22 ' N ' ' A' ' 45' ' ' ASN . 1.3 m-80 -54.88 -56.6 17.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -56.02 -48.68 75.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.448 ' SD ' HG21 ' A' ' 42' ' ' THR . 35.9 mmt -57.13 -39.9 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.29 -45.21 91.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 104' ' ' TRP . 9.6 mt -59.61 -48.39 81.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.466 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 tpp -53.3 -34.71 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -69.32 -49.68 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.41 -55.18 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 50' ' ' MET . 55.1 t -55.0 -41.53 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -57.84 -54.45 46.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.23 -46.66 82.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 106' ' ' ARG . 18.6 mt-10 -59.96 -42.44 94.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -52.59 -36.32 55.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 28' ' ' TYR . 16.0 mt -54.58 127.13 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -97.8 27.6 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 179.18 105.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -55.68 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -131.04 175.12 9.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -178.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.44 136.2 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG11 HD12 ' A' ' 7' ' ' ILE . 11.3 t -137.03 133.78 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.7 tt -116.23 104.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.535 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.6 tt -87.17 140.78 29.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.447 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.7 t -134.25 127.41 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -169.42 -170.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -156.15 31.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -82.61 138.18 34.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.91 -42.18 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.507 ' OH ' HD12 ' A' ' 49' ' ' LEU . 14.1 t80 -50.39 -36.56 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -84.23 -51.02 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -46.99 -56.06 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.9 -50.75 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.08 -48.68 19.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 82' ' ' ILE . 44.3 mm -71.51 -68.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -94.71 39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -166.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -51.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.456 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 41.7 m0 -86.59 -42.04 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.042 -171.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.667 HD12 HD13 ' A' ' 78' ' ' ILE . 66.3 mt -78.92 -33.57 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.65 -36.62 76.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.563 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -90.09 -48.1 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 47.3 m0 -57.91 -60.35 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -55.14 21.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -175.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -50.05 -56.98 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.74 -31.25 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.253 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.02 40.69 0.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.1 m95 50.96 64.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -152.97 163.57 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -90.43 -172.68 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.83 62.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -99.54 32.88 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.4 mttt 50.91 90.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -160.12 167.86 13.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.69 34.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.07 151.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -77.67 127.82 33.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t30 61.63 42.55 10.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.99 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.84 -37.08 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.51 ' CE2' HD11 ' A' ' 49' ' ' LEU . 13.0 m95 -60.07 -54.34 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 107.974 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.94 -46.24 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.4 ' CZ ' ' OE2' ' A' ' 57' ' ' GLU . 7.9 ttt180 -53.98 -43.67 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 49' ' ' LEU . 22.7 tp -65.59 -68.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -49.03 -47.73 44.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.6 83.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.07 63.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.41 -30.07 66.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.96 54.37 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -147.56 -52.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.291 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 175.84 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 -171.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -79.82 110.47 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.9 mm -87.57 130.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -122.69 98.75 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.0 m95 -79.57 107.89 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.44 88.22 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.91 125.46 29.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.32 136.47 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -56.62 -45.9 81.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -56.9 -45.84 82.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.24 -37.49 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.9 ttp85 -67.82 -33.51 74.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.586 ' SG ' HD12 ' A' ' 25' ' ' ILE . 47.7 m -61.68 -47.33 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.83 -39.89 86.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.35 -51.11 69.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.04 -41.54 88.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 12' ' ' SER . . . -55.67 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.26 -41.73 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.23 75.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -78.55 -39.03 38.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.86 67.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 20.5 mmt -95.75 33.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -160.39 72.68 2.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.39 9.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 40.2 p -148.74 38.68 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.72 -168.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.8 141.76 23.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.38 102.03 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -94.33 -40.92 9.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -91.01 49.82 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.031 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -86.3 56.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.577 HE22 ' HB2' ' A' ' 64' ' ' GLU . 32.8 tp60 -165.08 140.51 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 59' ' ' LEU . 38.8 t -78.91 137.63 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 26' ' ' LEU . 10.1 tt0 -122.14 144.05 49.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 -175.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.499 HD12 HG11 ' A' ' 65' ' ' VAL . 58.8 mt -137.54 86.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -174.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.93 105.72 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 11.7 p -91.48 153.95 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -172.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.69 92.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.46 144.9 20.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -141.36 98.08 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 178.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -108.91 137.65 46.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' ' HB1' ' A' ' 141' ' ' ALA . 37.9 mt -81.93 -33.18 30.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.75 -151.49 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -168.24 77.66 0.84 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.1 89.18 Favored 'Cis proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -2.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.51 41.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' A' ' 141' ' ' ALA . . . -163.9 -155.94 8.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' ' HB1' ' A' ' 137' ' ' ALA . . . -170.82 169.46 42.43 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 31.3 p90 -118.76 114.74 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 111.013 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 133.57 11.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -136.22 123.13 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.373 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.97 88.43 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.96 HD23 ' CE1' ' A' ' 35' ' ' PHE . 31.9 tp -91.64 106.74 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -92.96 98.0 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.22 -164.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -58.98 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -173.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.22 37.87 18.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -158.39 124.98 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -74.34 139.97 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -147.82 117.64 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.5 m -95.84 144.36 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.96 ' CE1' HD23 ' A' ' 26' ' ' LEU . 18.7 m-85 -128.25 88.32 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -127.05 93.3 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.58 ' HB1' HD12 ' A' ' 146' ' ' LEU . . . -85.89 -174.47 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.492 ' HA2' ' HB1' ' A' ' 140' ' ' ALA . . . -139.58 112.46 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -106.46 146.12 30.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 111.017 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 146' ' ' LEU . 28.0 p -86.26 -34.9 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.372 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -147.55 105.59 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -176.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.09 166.72 29.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -104.38 165.58 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 m120 -54.49 -45.04 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -176.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.526 ' NH1' HD11 ' A' ' 103' ' ' LEU . 64.5 mtp85 -60.12 -53.28 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -36.83 53.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.12 -68.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.853 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -48.13 -35.84 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.479 ' HG2' ' CG ' ' A' ' 22' ' ' TYR . 2.4 ttm -58.88 -62.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -47.09 -39.45 13.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.47 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 49' ' ' LEU . 41.0 mt -57.38 -61.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG21 ' CZ ' ' A' ' 22' ' ' TYR . 54.3 t -49.22 -45.74 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -171.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' A' ' 26' ' ' LEU . . . -58.29 -44.56 88.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 114' ' ' HIS . 12.1 mt -69.62 -33.03 72.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.26 -48.67 72.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.29 -38.99 55.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 5' ' ' VAL . 8.3 mt -61.83 97.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -96.18 46.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.43 155.15 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.787 ' CE1' HE21 ' A' ' 113' ' ' GLN . 9.3 m-70 -80.05 109.84 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.4 m -150.74 174.8 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.261 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HB2' HE22 ' A' ' 4' ' ' GLN . 32.2 mt-10 -77.91 169.3 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 7' ' ' ILE . 44.0 t -152.7 135.99 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD12 ' HB2' ' A' ' 117' ' ' LYS . 4.3 tp -113.05 110.19 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.64 HD13 ' CH2' ' A' ' 118' ' ' TRP . 1.0 OUTLIER -91.9 148.54 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -173.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.4 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.4 t -145.24 116.25 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -166.58 -170.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.399 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.15 34.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 t -84.69 116.27 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -58.88 -37.9 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 49' ' ' LEU . 18.7 t80 -54.45 -43.27 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 49' ' ' LEU . 59.4 t -78.15 -53.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -47.88 -55.84 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -176.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 33.8 mt-30 -69.05 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 81' ' ' TRP . . . -41.87 -34.24 1.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.929 HD13 HD12 ' A' ' 82' ' ' ILE . 22.9 mm -82.63 -69.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -174.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 HG22 ' A' ' 78' ' ' ILE . 27.3 p -93.98 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -152.5 -51.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 173.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.46 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 39.7 m0 -90.8 -41.14 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.032 -172.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.929 HD12 HD13 ' A' ' 78' ' ' ILE . 45.1 mt -82.66 -31.51 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -59.39 -34.87 72.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.558 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 -49.11 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' CG1' ' A' ' 98' ' ' VAL . 40.4 m0 -53.85 -56.06 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -49.61 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -174.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -50.79 -52.44 41.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -50.03 -28.77 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.61 37.1 1.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.2 m95 50.62 60.36 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -153.13 155.32 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.2 p -95.51 -170.84 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.18 88.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.01 34.66 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -177.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 pttt 44.35 36.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -95.9 168.21 11.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.21 41.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG1' ' CZ3' ' A' ' 85' ' ' TRP . 48.4 t -82.87 150.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.43 121.47 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.57 41.94 14.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 105' ' ' GLN . 10.7 p -56.92 -31.31 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.31 -53.83 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.311 -175.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.526 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.9 mt -71.63 -44.01 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.783 ' CH2' HD11 ' A' ' 49' ' ' LEU . 69.2 m95 -49.89 -57.42 7.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 107.985 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.403 ' HG3' HG22 ' A' ' 101' ' ' VAL . 28.6 mt-30 -48.99 -51.61 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -54.63 -37.45 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.84 -31.09 64.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.26 -60.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.37 -33.81 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.45 -34.76 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.93 HD23 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -50.05 -29.5 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 172.47 52.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.787 HE21 ' CE1' ' A' ' 62' ' ' HIS . 3.3 mm100 63.39 11.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.618 ' CD2' HD22 ' A' ' 56' ' ' LEU . 9.7 m-70 -139.86 116.48 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -169.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -79.44 88.39 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 163.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.93 HD12 HD23 ' A' ' 111' ' ' LEU . 50.8 mt -89.4 107.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -171.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 66' ' ' ILE . 40.2 mtpt -84.56 102.02 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 171.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.64 ' CH2' HD13 ' A' ' 67' ' ' LEU . 87.2 m95 -78.25 98.66 5.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -94.63 91.74 6.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.624 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 54.2 m95 -79.46 105.88 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.049 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.86 -178.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.607 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -59.74 -56.74 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . 0.477 ' H ' HD22 ' A' ' 130' ' ' ASN . 2.2 m-80 -55.58 -36.24 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.12 -35.08 80.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -66.78 -49.51 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.75 -28.33 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.296 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.37 -40.03 89.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.74 -39.13 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.08 -43.88 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 21' ' ' GLY . . . -59.92 -43.4 94.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 43.6 mtm180 -64.05 -39.33 93.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.97 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.492 ' HB1' ' HA2' ' A' ' 38' ' ' GLY . . . -64.21 -35.72 81.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 138' ' ' ARG . . . -57.03 -38.13 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 25.9 mmt -79.47 -25.4 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -144.26 78.36 13.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.3 m -156.78 -49.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' THR . 20.2 mt -81.47 -168.48 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -149.53 158.47 44.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.59 97.69 5.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.5 m -87.42 -42.22 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -92.18 49.57 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 111.039 179.256 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -84.57 64.8 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.446 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -174.1 128.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -178.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 66' ' ' ILE . 12.1 t -81.47 131.3 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -112.54 101.56 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.595 HD12 ' CG1' ' A' ' 65' ' ' VAL . 70.7 mt -104.14 121.23 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -173.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -129.47 107.22 9.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -86.81 148.0 25.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -160.25 97.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 140.36 42.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.065 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.638 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 1.7 t -108.81 36.35 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.011 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.32 111.65 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 108.296 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.17 -41.06 20.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.98 -148.71 23.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -175.49 76.98 0.3 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.278 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.0 41.0 Favored 'Cis proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -6.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.97 174.14 46.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.29 -152.69 5.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.87 -150.16 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 37' ' ' ALA . 16.4 p90 -146.58 133.12 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 111.001 177.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.07 123.8 4.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -137.76 124.09 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.589 HD12 ' SG ' ' A' ' 133' ' ' CYS . 72.0 mt -80.58 118.05 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' CE2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -122.42 94.41 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -78.98 124.27 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -114.88 -165.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -55.79 97.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -171.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.33 34.27 18.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -158.99 116.99 2.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.29 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.96 108.43 10.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 mtmt -105.45 113.31 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.541 ' CG2' HD13 ' A' ' 136' ' ' LEU . 22.6 m -101.47 141.74 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.975 ' CE2' HD22 ' A' ' 26' ' ' LEU . 14.9 m-85 -126.22 94.61 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.994 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 t -131.82 81.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . . . -91.73 151.81 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 156.61 15.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -135.92 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.983 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 144' ' ' PRO . 41.6 p -85.65 -35.86 20.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -175.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -164.51 114.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.91 163.3 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 p -92.05 172.85 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -77.4 -43.12 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.528 HD22 ' N ' ' A' ' 45' ' ' ASN . 1.1 m-80 -57.92 -53.21 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -56.54 -42.02 77.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.5 mmt -73.03 -35.54 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.2 -46.74 75.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.631 HD11 ' CZ2' ' A' ' 104' ' ' TRP . 10.4 mt -59.27 -56.83 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 52.6 tpp -47.51 -38.2 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -61.31 -59.63 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -57.88 -49.64 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.62 -57.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' MET . 53.4 t -52.23 -38.87 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -55.46 -48.2 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 177.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 114' ' ' HIS . 7.0 mt -73.33 -33.85 65.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 37.6 mt-10 -55.32 -49.88 71.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -52.77 -38.68 61.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.6 mt -71.29 133.99 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -141.4 52.67 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -175.39 170.67 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.18 76.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -161.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -168.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -141.64 107.3 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 172.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 7' ' ' ILE . 73.7 t -107.07 135.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -167.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 117' ' ' LYS . 4.1 tp -114.2 96.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 168.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 68' ' ' SER . 1.4 tt -85.83 141.01 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -173.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.436 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.9 t -136.02 121.0 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -160.36 175.32 12.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -138.19 31.99 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -80.34 116.46 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.26 -33.82 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.466 ' CE2' HD12 ' A' ' 49' ' ' LEU . 18.5 t80 -58.46 -42.03 86.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.54 -42.5 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.36 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -46.32 -57.85 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.25 -44.7 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.26 -54.12 13.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 82' ' ' ILE . 47.9 mm -68.28 -70.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.58 0.812 . . . . 0.0 109.312 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -94.99 40.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -164.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -159.48 -52.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.458 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 45.8 m0 -81.97 -43.63 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.054 -170.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 78' ' ' ILE . 83.7 mt -75.69 -35.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -175.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -58.39 -40.35 82.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.3 -45.7 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.458 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 50.1 m0 -60.99 -58.13 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.019 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.34 -57.6 10.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -52.07 -52.51 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -53.47 -32.23 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.33 43.82 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.6 m95 56.51 78.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 85' ' ' TRP . 65.8 mttt -145.93 -169.69 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.6 p -132.79 -61.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -157.25 -72.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -96.16 45.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.3 mttt 59.02 90.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -151.2 162.01 28.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 110.965 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.0 156.64 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -79.57 132.13 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 58.56 38.87 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.57 -34.81 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.544 ' HA ' HE21 ' A' ' 105' ' ' GLN . 3.9 p-10 -56.02 -48.79 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 150' ' ' GLY . 24.2 mt -73.34 -32.73 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -175.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CZ2' HD11 ' A' ' 49' ' ' LEU . 69.7 m95 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 102' ' ' ASP . 28.2 mt-30 -54.44 -48.15 72.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.411 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 10.4 ttt180 -57.62 -38.46 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 78' ' ' ILE . 23.4 tp -65.68 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.51 -47.89 48.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -172.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.31 86.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.05 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.47 -23.56 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.36 47.5 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -137.64 -50.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -107.06 163.37 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -168.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -78.57 106.73 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 118' ' ' TRP . 48.2 mm -81.4 110.83 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.5 ' HB3' HD12 ' A' ' 66' ' ' ILE . 8.4 tppt? -98.35 103.82 15.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.509 ' CE2' HG21 ' A' ' 116' ' ' ILE . 97.3 m95 -77.8 92.02 4.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 -177.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -97.35 89.1 4.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -83.32 121.2 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.2 m -86.01 171.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -174.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 174.252 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -67.18 -53.03 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -64.01 -36.16 83.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -55.05 -45.25 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -65.8 -37.33 85.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.589 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.9 m -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 108.296 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 137' ' ' ALA . 20.1 t0 -59.1 -42.37 90.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.7 -48.25 78.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.541 HD13 ' CG2' ' A' ' 34' ' ' THR . 8.0 mt -58.81 -42.23 88.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -52.22 -48.35 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -56.74 -43.06 80.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.85 -39.71 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.79 56.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.24 -32.65 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 15.0 mmt -94.28 36.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -155.69 67.96 4.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 -9.17 20.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -170.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 p -95.8 88.97 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.452 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -150.93 -170.14 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.33 113.07 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -81.99 88.56 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -100.72 -41.62 6.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 103' ' ' LEU . . . -56.69 -49.1 72.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -126.5 58.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -152.25 150.26 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG22 ' A' ' 65' ' ' VAL . 2.6 t -85.96 116.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.51 105.85 12.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -164.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 55' ' ' ALA . 40.1 mm -109.73 78.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -170.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.73 104.96 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.4 p -100.72 150.03 23.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -160.2 124.44 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 174.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.58 145.99 16.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -161.39 127.92 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.7 t -114.4 148.62 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 108.297 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -129.46 64.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -176.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.63 -143.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -170.71 78.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -66.7 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 5.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 173.01 22.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.043 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA3' HG23 ' A' ' 42' ' ' THR . . . -64.73 152.21 50.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -172.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.45 116.7 5.3 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -104.24 120.43 41.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -176.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -140.09 111.32 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 35' ' ' PHE . . . -142.83 98.29 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 175.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.89 102.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 7' ' ' ILE . 3.4 tt -101.29 96.64 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.67 102.02 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.41 174.91 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -49.52 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.7 32.32 24.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -149.16 87.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.81 109.66 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -117.09 131.81 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 37.2 m -96.57 145.41 25.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.66 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 21.8 m-85 -141.26 90.71 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -151.14 70.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -171.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.57 -168.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 127.27 2.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.64 174.68 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 111.001 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -99.36 -46.14 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.22 92.11 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -172.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.429 HG23 ' HA3' ' A' ' 20' ' ' GLY . 1.4 t -162.55 143.03 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -82.58 173.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.33 -38.82 71.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -54.93 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -178.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 151' ' ' TYR . 15.2 ptm180 -61.5 -28.94 69.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.3 mmt -53.63 -63.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 28.0 mt-10 -54.29 -38.41 65.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 104' ' ' TRP . 1.3 mt -51.64 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.45 ' HB3' HD13 ' A' ' 103' ' ' LEU . 5.1 ptp -64.92 -24.11 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -52.06 -59.06 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 174.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.2 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 103' ' ' LEU . 38.9 mt -55.96 -60.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 76.7 t -59.79 -26.71 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -66.12 -52.9 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 171.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 65' ' ' VAL . 8.7 mt -60.38 -34.04 73.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -80.32 -32.01 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -57.9 -42.12 84.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 61' ' ' GLU . 1.2 pp -57.29 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -158.58 31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.539 ' H ' HD12 ' A' ' 59' ' ' LEU . 17.0 mt-10 -156.12 111.88 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.43 84.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.866 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m -141.82 162.1 36.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -165.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -46.52 130.6 11.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.24 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 63' ' ' CYS . 49.3 t -135.32 131.23 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 tt -99.43 145.47 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.4 OUTLIER -131.73 90.97 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -172.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 m -80.91 105.45 12.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -142.59 169.59 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.63 46.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -100.61 146.58 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.67 -34.27 40.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.512 ' OH ' HD12 ' A' ' 49' ' ' LEU . 12.9 t80 -70.48 -47.41 60.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -68.97 -57.23 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -47.13 -47.52 23.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.54 -56.98 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.69 -40.73 18.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' A' ' 82' ' ' ILE . 22.6 mt -79.85 -69.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 HG22 ' A' ' 78' ' ' ILE . 82.1 p -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -168.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.62 -48.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -90.41 -58.79 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 78' ' ' ILE . 13.5 mt -56.99 -35.2 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -167.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -57.69 -38.95 76.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.61 -44.33 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -58.92 -46.73 87.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -57.18 -60.88 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.96 -44.56 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -50.66 -30.5 13.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.49 38.46 1.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.9 m95 57.52 47.06 16.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -142.34 142.97 32.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 98' ' ' VAL . 41.5 p -93.26 -34.6 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.74 -163.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.59 90.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 66.02 58.91 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -133.29 155.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 92' ' ' THR . 95.0 t -100.29 149.06 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 176.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.92 125.34 27.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.427 ' ND2' HD13 ' A' ' 49' ' ' LEU . 43.7 t-20 58.96 53.3 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.245 -177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.1 -38.43 71.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.65 -56.24 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 53' ' ' ILE . 68.1 mt -63.07 -40.3 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.743 ' CZ3' HD11 ' A' ' 82' ' ' ILE . 7.0 m95 -59.21 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -52.94 -41.47 64.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' HG21 ' A' ' 53' ' ' ILE . 99.4 mtt180 -62.08 -34.71 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' CG1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -58.86 -59.51 5.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 173.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.98 -46.8 76.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -171.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.2 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.95 -36.92 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.589 ' HA ' HD13 ' A' ' 116' ' ' ILE . 6.8 mt -56.06 -32.35 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.61 52.2 2.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -174.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.0 -53.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.312 169.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 1.3 p-80 -125.66 -178.04 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -89.63 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 173.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.603 HD12 ' N ' ' A' ' 116' ' ' ILE . 4.0 mp -87.89 92.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 174.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -83.79 106.89 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.681 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 36.3 m95 -84.06 97.78 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 -171.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.95 102.4 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.432 ' CZ2' ' CB ' ' A' ' 118' ' ' TRP . 16.5 m95 -84.76 110.03 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.8 m -100.54 154.46 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 54.6 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.268 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.38 -45.09 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -54.46 -44.35 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.96 -38.44 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -67.9 -35.03 77.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 39.2 m -61.95 -50.72 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.88 -47.34 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.76 -42.36 71.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.23 -38.85 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -34.33 66.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.35 80.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.0 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -56.09 -42.31 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.91 35.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -161.2 80.87 2.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 36.3 p -150.37 -56.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.42 178.99 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.03 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -88.3 133.78 33.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 149' ' ' THR . 14.3 t -101.12 41.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.68 -45.68 0.59 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . 0.483 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 3.0 m-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 110.986 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -84.17 64.02 8.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -160.04 -178.64 7.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' ILE . 11.6 t -87.75 131.68 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -125.44 138.9 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 65' ' ' VAL . 63.0 mt -132.84 103.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -177.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.72 104.2 14.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.0 p -90.94 143.34 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.415 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -160.3 97.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.36 162.65 33.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.2 p -152.67 91.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.42 130.91 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.288 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.2 -43.18 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.7 -146.48 15.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.107 . . . . 0.0 110.983 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -176.38 76.35 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.31 68.77 Favored 'Cis proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -2.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.41 173.54 43.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.46 -164.19 9.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 177.73 35.7 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 31.2 p90 -123.99 98.72 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.85 121.33 6.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -145.64 135.0 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.45 HD12 ' SG ' ' A' ' 133' ' ' CYS . 89.1 mt -88.64 158.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 35' ' ' PHE . 7.2 tp -135.61 153.17 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -135.39 90.21 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE1' HD22 ' A' ' 59' ' ' LEU . 1.9 t80 -113.13 124.07 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 63.56 -154.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.35 30.62 4.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -140.12 133.04 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 110.277 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -87.9 144.35 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -131.76 178.23 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 136' ' ' LEU . 47.6 m -151.79 154.07 35.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.742 ' CE2' HD22 ' A' ' 26' ' ' LEU . 24.0 m-85 -140.04 93.72 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -135.35 86.11 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 140' ' ' ALA . . . -90.18 -175.86 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.71 120.38 2.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -101.48 155.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.021 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 146' ' ' LEU . 31.4 p -83.58 -47.18 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -142.54 109.53 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.18 164.42 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -98.68 176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.12 -41.76 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.471 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.4 m-80 -53.89 -59.9 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -52.62 -38.67 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -54.9 37.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.68 -45.16 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD2' HD22 ' A' ' 107' ' ' LEU . 10.0 mt -60.4 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.414 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 tpp -54.36 -33.33 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -68.85 -51.03 44.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.86 87.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.2 mt -68.59 -59.75 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' MET . 56.1 t -52.64 -43.02 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -175.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 65' ' ' VAL . 50.9 mt -61.13 -46.54 90.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 24.0 mt-10 -56.84 -40.18 75.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -56.89 -36.34 70.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 28' ' ' TYR . 36.4 mt -54.85 128.33 32.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -99.11 26.92 5.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 178.86 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -55.88 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.1 m -131.01 174.74 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.268 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -46.28 135.23 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 63' ' ' CYS . 11.7 t -137.28 133.71 46.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.9 tt -117.37 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.2 tt -82.65 140.55 33.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.3 t -132.5 123.34 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -169.38 -169.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -159.65 34.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -80.79 136.98 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -72.56 -38.26 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.475 ' OH ' HD12 ' A' ' 49' ' ' LEU . 12.8 t80 -56.16 -39.43 72.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.62 -49.34 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -47.73 -57.79 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.64 -50.71 19.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CE3' ' A' ' 81' ' ' TRP . . . -47.43 -43.43 20.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 82' ' ' ILE . 36.5 mm -76.36 -72.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 p -67.06 -29.04 68.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -167.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -58.0 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 -168.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.536 ' HA ' HD21 ' A' ' 84' ' ' ASN . 51.2 m0 -77.43 -44.67 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -165.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 tt -49.76 -35.22 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -172.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -58.32 -72.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.536 HD21 ' HA ' ' A' ' 81' ' ' TRP . 6.9 p30 -57.36 -38.98 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -177.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -57.96 -63.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -55.35 -55.64 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -50.66 -52.67 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -51.74 -31.05 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.42 41.71 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.3 m95 56.52 47.73 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -150.11 -179.34 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.7 p -91.12 -171.86 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.92 -36.09 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.9 32.93 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mttt 50.99 90.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -160.06 168.15 12.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.72 28.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.67 151.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -76.87 130.11 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 59.78 38.93 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.44 -40.15 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HA ' HE21 ' A' ' 105' ' ' GLN . 5.5 p-10 -63.37 -49.87 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.16 -35.6 81.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 49' ' ' LEU . 21.4 m95 -61.21 -56.07 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.426 HE21 ' HA ' ' A' ' 102' ' ' ASP . 30.4 mt-30 -48.75 -49.25 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 9.1 ttt180 -54.11 -39.04 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 49' ' ' LEU . 32.2 tp -72.02 -67.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.2 -43.64 42.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.13 89.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.11 75.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -57.95 -32.35 67.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.77 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -148.55 -52.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 176.2 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.618 -173.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -79.92 109.8 14.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.02 132.06 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -126.74 99.24 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.2 m95 -79.89 111.2 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.01 87.25 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -79.93 115.5 19.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.85 159.46 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.0 -41.07 77.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.17 -44.16 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -57.48 -39.15 75.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -67.05 -34.66 78.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.8 m -59.79 -52.39 65.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.263 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.43 -41.39 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -52.18 -45.17 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.503 HD13 HG21 ' A' ' 34' ' ' THR . 11.0 mt -68.89 -40.16 79.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.64 76.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.9 ttm105 -66.86 -49.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.72 88.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -72.16 -37.21 69.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.49 69.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 32.5 tpp -94.93 35.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -160.23 77.25 2.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 85.6 m -104.8 -34.45 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.456 HD12 ' HB1' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -86.42 -168.08 2.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -177.421 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -139.62 155.43 47.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.36 123.13 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.0 m -53.44 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.83 39.14 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.285 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -84.15 60.63 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -165.19 154.53 12.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 59' ' ' LEU . 11.9 t -79.96 133.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -120.31 142.03 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.566 HD12 HG11 ' A' ' 65' ' ' VAL . 67.7 mt -134.94 101.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD2' ' OG ' ' A' ' 68' ' ' SER . 79.4 m-85 -101.7 103.21 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 52' ' ' ALA . 75.8 p -87.61 142.54 27.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.383 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 11.6 t0 -160.37 90.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 172.99 53.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.583 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 3.9 t -157.17 109.64 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.945 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 p -132.09 151.05 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 19' ' ' PRO . 3.6 mt -80.43 -53.7 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.36 100.23 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 53.66 90.1 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -78.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -5.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.95 79.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.02 61.62 5.72 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.74 -150.18 9.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.02 -174.16 22.4 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 32.1 p90 -122.75 99.79 6.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 111.02 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.34 104.33 2.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -130.72 114.65 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.306 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.507 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.0 mt -92.92 102.03 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -101.2 119.51 38.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -177.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 26' ' ' LEU . 21.8 ttm-85 -101.59 125.82 48.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -105.44 -164.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -53.54 96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.02 42.11 15.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -158.67 110.13 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.3 143.33 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -140.34 146.54 38.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 m -110.39 143.35 40.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 7.0 m-85 -144.16 89.24 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -151.61 95.98 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.045 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.16 -171.63 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.41 114.03 2.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -104.42 129.43 52.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 111.021 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 146' ' ' LEU . 18.9 p -78.63 -25.4 45.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -146.02 107.17 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 164.7 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -114.49 -166.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.11 -55.1 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -52.73 -38.22 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -177.518 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH2' HD11 ' A' ' 103' ' ' LEU . 44.2 mtp85 -65.38 -60.37 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.5 mmt -55.93 -45.3 78.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -51.3 -53.48 35.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 104' ' ' TRP . 14.2 mt -59.54 -53.29 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.8 tpp -48.23 -40.99 26.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -60.18 -68.87 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -55.93 -43.15 77.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -176.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.48 -59.52 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' MET . 24.3 t -46.72 -41.64 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.09 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 7' ' ' ILE . 27.0 mt -63.18 -42.68 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -55.99 -43.77 77.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.23 54.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 5' ' ' VAL . 7.5 mt -72.57 102.58 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -100.89 54.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -176.52 156.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' A' ' 113' ' ' GLN . 2.6 m-70 -80.43 112.21 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 114' ' ' HIS . 24.0 m -143.28 -146.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 -178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -123.89 165.93 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 7' ' ' ILE . 56.4 t -152.97 149.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -176.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 5' ' ' VAL . 8.0 tt -130.25 99.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 67' ' ' LEU . 7.5 tt -84.11 134.71 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -175.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.411 ' OG ' ' CD2' ' A' ' 8' ' ' PHE . 9.5 p -124.71 124.73 42.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.3 t -166.83 -169.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.75 32.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -90.35 105.44 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -55.23 -34.29 63.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 45' ' ' ASN . 3.9 t80 -52.66 -43.19 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.88 -53.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -45.12 -46.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -69.1 -67.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -43.69 -37.41 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 79' ' ' THR . 13.5 mm -67.9 -75.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 78' ' ' ILE . 41.6 p -69.12 -28.71 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -66.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.415 ' CG ' ' HA2' ' A' ' 77' ' ' GLY . 50.5 m0 -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 107.997 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.5 tt -49.53 -35.97 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -59.07 -72.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -56.57 -39.64 73.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -58.08 -72.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -52.93 39.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -48.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -49.64 -29.27 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.6 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.1 m95 52.74 47.78 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -150.54 179.91 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.5 p -93.36 -172.46 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.77 42.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 95' ' ' LYS . 4.4 p-10 -97.24 39.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' ASP . 49.9 pttt 38.97 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -148.34 166.37 15.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.88 29.55 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.97 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.3 t -85.94 150.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -76.19 128.34 34.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 60.51 39.44 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.24 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.72 -47.17 87.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.446 HD11 ' NH2' ' A' ' 46' ' ' ARG . 32.6 mt -68.7 -38.72 80.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 49' ' ' LEU . 16.6 m95 -62.7 -47.74 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.019 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.26 -55.67 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.08 -38.71 65.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 21.3 tp -62.74 -42.19 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.42 -56.0 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.27 -40.43 71.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 114' ' ' HIS . . . -68.21 -31.21 70.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 116' ' ' ILE . 1.1 mt -74.63 -10.43 59.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.13 -37.12 25.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 62' ' ' HIS . 8.9 mt-30 -78.22 -70.15 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -93.34 153.11 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -170.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -91.8 100.98 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.69 HD12 HD23 ' A' ' 111' ' ' LEU . 4.4 mt -87.53 113.18 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HE2' HD12 ' A' ' 66' ' ' ILE . 30.7 ttpt -79.87 113.79 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 120' ' ' TRP . 74.8 m95 -79.32 90.64 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.026 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -91.94 89.72 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 118' ' ' TRP . 8.7 m95 -79.93 112.75 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.5 m -111.27 140.99 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.422 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -57.8 -45.78 85.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -63.1 -42.15 99.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -54.02 -37.65 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.83 -35.38 67.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.507 ' SG ' HD12 ' A' ' 25' ' ' ILE . 61.4 m -59.02 -45.1 91.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -63.09 -44.77 94.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.11 -42.11 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.93 -42.29 73.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -58.03 -44.48 87.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -76.77 -50.63 13.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.93 67.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.83 64.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.19 -34.36 68.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 14.3 mmt -93.36 32.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -160.3 78.17 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.07 29.69 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.4 p -149.32 -50.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 40' ' ' THR . 10.6 mt -97.03 -177.13 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -137.78 151.85 48.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 110.305 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -79.77 120.35 23.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 94.1 m -92.7 -34.65 13.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -93.71 44.96 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.263 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.79 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 66' ' ' ILE . 32.8 tt0 -172.64 147.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 66' ' ' ILE . 59.0 t -84.69 142.09 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 27' ' ' ARG . 38.9 mt-10 -126.89 137.02 53.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 65' ' ' VAL . 74.2 mt -135.79 94.91 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -98.33 106.26 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -100.38 146.85 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.441 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -160.68 97.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.14 161.42 41.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -157.94 87.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.974 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.23 136.19 33.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.288 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.17 -35.9 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.12 -152.8 8.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -170.19 76.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 43' ' ' THR . 18.2 Cg_endo -75.0 169.82 73.54 Favored 'Cis proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -0.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.69 173.74 46.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.046 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 141' ' ' ALA . . . -144.37 -165.22 10.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.43 163.95 36.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' O ' ' HA ' ' A' ' 36' ' ' SER . 50.7 p90 -113.28 126.54 55.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 36' ' ' SER . . . -102.59 116.12 5.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.3 102.55 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.644 HD12 ' SG ' ' A' ' 133' ' ' CYS . 79.9 mt -85.1 114.59 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 6' ' ' GLU . 11.0 tp -91.79 155.93 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 19.5 ttm-85 -141.77 98.84 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.73 -164.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -55.94 91.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.97 28.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -158.05 107.13 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -80.4 140.31 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -143.65 130.14 20.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 m -94.13 150.76 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -147.52 98.37 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 9.4 t -161.6 97.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.93 173.05 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.91 163.52 15.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -147.61 149.4 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.967 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 146' ' ' LEU . 33.6 p -94.95 -29.84 14.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -146.29 97.34 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 t -149.34 170.14 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 17' ' ' PRO . 46.3 p -123.98 170.68 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.7 -41.41 97.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 73' ' ' TYR . 14.5 m120 -59.11 -53.49 57.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -56.99 -49.11 76.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.6 mmt -61.35 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.21 -52.98 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 53' ' ' ILE . 20.1 mt -60.96 -49.84 75.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.781 ' O ' HG23 ' A' ' 54' ' ' VAL . 59.8 tpp -51.32 -35.45 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -177.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 22' ' ' TYR . . . -64.46 -55.82 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 67' ' ' LEU . . . -66.31 -37.36 85.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 49' ' ' LEU . 65.4 mt -71.93 -45.9 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 50' ' ' MET . 75.3 t -63.04 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.53 83.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD21 HG11 ' A' ' 65' ' ' VAL . 48.2 mt -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.06 -36.5 68.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.83 73.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 5' ' ' VAL . 49.9 mt -62.56 121.42 13.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -102.8 38.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.49 112.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 113' ' ' GLN . 32.3 m170 -55.77 112.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.747 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 64.7 m -147.26 175.42 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.1 138.04 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.619 ' CG1' HD12 ' A' ' 7' ' ' ILE . 72.2 t -131.91 130.64 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 5' ' ' VAL . 12.0 tt -116.74 112.53 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' SER . 1.1 tt -93.74 145.59 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 8.7 t -140.01 115.57 10.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.076 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -165.9 145.95 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -92.6 38.24 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -87.4 119.88 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -80.81 -39.72 26.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.493 ' O ' ' HA3' ' A' ' 77' ' ' GLY . 15.2 t80 -57.75 -37.93 74.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.963 ' O ' HG12 ' A' ' 78' ' ' ILE . 64.6 t -81.87 -41.79 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.531 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 75.8 ttt180 -57.38 -56.99 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.917 ' O ' ' CB ' ' A' ' 80' ' ' GLN . 36.0 mt-30 -74.18 -44.9 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -53.57 -33.43 47.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 1.402 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 37.7 mm -79.8 -66.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -96.04 35.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.917 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -147.66 -53.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 178.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HB3' ' CZ3' ' A' ' 85' ' ' TRP . 34.4 m0 -90.78 -42.98 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.402 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 12.7 tt -68.63 -34.64 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -50.65 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.585 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 24.7 m-80 -71.47 -30.85 66.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.993 ' O ' ' HA ' ' A' ' 90' ' ' TRP . 51.3 m0 -81.86 -5.78 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 107.991 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 82' ' ' ILE . 32.4 ttpt -92.33 -80.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 165.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 88' ' ' ARG . 55.2 tttm -47.89 -59.54 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -164.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 1.2 mmt180 -44.47 -97.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.57 5.17 5.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.993 ' HA ' ' O ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER 72.43 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.801 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 80.7 tttt -152.97 166.94 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -171.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 96' ' ' LYS . 36.0 p -73.21 142.59 47.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -173.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.52 63.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 95' ' ' LYS . 24.4 p-10 -85.8 48.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -176.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER 30.35 63.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.778 ' C ' ' HE3' ' A' ' 91' ' ' LYS . 43.2 mttm -141.09 170.41 9.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 18.3 Cg_endo -75.01 145.68 31.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.801 ' CG2' ' HA ' ' A' ' 91' ' ' LYS . 98.8 t -77.72 148.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 175.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 25.5 tptp -69.71 118.69 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 57.48 45.81 19.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.68 -40.78 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.33 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 mt -71.78 -36.22 70.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.768 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 24.2 m95 -57.11 -50.75 71.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.015 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -51.22 -47.14 62.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -59.96 -38.46 82.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.3 tp -73.83 -56.73 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.57 -43.72 76.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 113' ' ' GLN . . . -65.2 -47.0 78.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.7 98.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.9 -37.46 87.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.81 53.52 4.86 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.047 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 71.9 mm-40 -144.69 -58.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.284 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.747 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -110.58 -178.12 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.586 -178.086 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -78.59 144.43 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.4 mm -121.1 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HB3' HG13 ' A' ' 66' ' ' ILE . 12.2 tppt? -120.78 98.35 5.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 175.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.644 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 98.3 m95 -80.48 95.01 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.035 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -92.91 89.59 6.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.644 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 33.8 m95 -82.87 102.03 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.028 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.02 168.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.401 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -54.32 -40.06 67.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -58.78 -42.96 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.38 -39.81 80.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -69.44 -35.67 75.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 25' ' ' ILE . 74.7 m -59.07 -46.58 87.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 108.343 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.48 -43.99 89.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.86 -39.89 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.38 -50.63 69.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.98 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 142' ' ' MET . 25.5 ttm105 -65.29 -38.04 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.48 94.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.32 28.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.494 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . . . -59.8 -39.1 83.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 138' ' ' ARG . 93.3 mmm -78.63 -28.49 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.62 77.04 40.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 145' ' ' THR . 97.9 m -151.56 38.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 40' ' ' THR . 4.1 mt -156.18 -164.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -142.11 153.0 43.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.38 99.69 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.3 m -94.91 84.92 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 165.27 -34.27 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 110.963 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -97.47 66.82 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -159.45 151.26 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.248 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 66' ' ' ILE . 4.3 t -86.66 133.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -126.8 140.05 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 65' ' ' VAL . 54.9 mt -136.24 86.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -176.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.81 102.93 14.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.6 p -82.37 149.6 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 5.9 p-10 -160.5 90.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.02 158.35 29.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 2.5 t -155.79 124.25 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -135.23 133.94 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 108.239 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.48 -31.31 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.6 -155.63 9.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -167.14 77.94 0.99 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.02 65.13 Favored 'Cis proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -0.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.0 172.57 44.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.19 16.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.68 -157.5 10.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.98 170.24 35.36 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.688 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 32.5 p90 -123.78 97.7 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 111.001 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.13 21.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.58 118.54 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.718 HD12 ' SG ' ' A' ' 133' ' ' CYS . 56.7 mt -83.29 112.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 150.48 21.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -130.9 91.63 3.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -109.39 122.22 46.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 63.01 -153.77 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -171.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 28.37 4.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.6 128.26 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -88.69 140.18 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -130.03 174.75 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 m -146.57 145.74 30.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 38.3 m-85 -137.09 99.79 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -142.07 84.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 146' ' ' LEU . . . -90.51 -173.82 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.1 171.95 15.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -150.57 154.35 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 111.017 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.9 p -92.08 -31.47 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -155.0 111.84 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -160.18 164.78 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.8 p -101.8 168.63 9.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.65 -42.87 81.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 6.7 m120 -65.58 -44.57 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -177.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' NH1' HD11 ' A' ' 103' ' ' LEU . 55.9 mtp85 -55.09 -39.51 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -57.4 13.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 41.0 mt-10 -48.45 -45.17 36.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 104' ' ' TRP . 14.4 mt -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 34.5 tpp -42.51 -37.43 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -61.23 -62.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.7 83.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.3 -58.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 55.6 t -60.32 -31.58 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -174.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -56.06 26.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 65' ' ' VAL . 70.3 mt -58.29 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.96 -38.57 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -55.25 -37.21 66.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.17 138.33 7.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -96.42 25.81 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.03 127.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -74.74 101.92 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 31.6 m -136.44 175.92 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.266 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.98 139.68 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 56' ' ' LEU . 10.6 t -138.63 126.59 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.515 HD12 ' CE ' ' A' ' 117' ' ' LYS . 12.9 tt -107.35 118.17 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 173.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.9 OUTLIER -101.61 132.8 47.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.34 128.77 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -170.01 -172.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -153.64 32.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 t -78.39 137.76 38.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -81.93 -33.85 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 45' ' ' ASN . 86.5 t80 -63.34 -39.3 94.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.15 -56.39 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -45.54 -52.41 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 38.2 mt-30 -71.94 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' TRP . . . -41.18 -33.91 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 82' ' ' ILE . 31.5 mm -86.01 -66.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -172.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.5 p -93.96 41.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -153.18 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 172.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.479 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 42.3 m0 -88.08 -38.01 15.78 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -173.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 78' ' ' ILE . 57.4 mt -87.17 -31.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -57.78 -33.98 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.74 -50.66 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.479 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 39.9 m0 -51.92 -53.59 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -48.36 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -50.67 -49.37 57.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -49.38 -29.41 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.23 39.05 1.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 m95 53.29 57.08 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -135.14 -178.8 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -128.05 -53.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.84 -73.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' C ' ' HG2' ' A' ' 95' ' ' LYS . 22.0 t70 -88.09 56.27 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER 44.93 31.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.46 160.44 64.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.81 42.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 111.014 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.72 153.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -79.2 130.58 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.96 40.23 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.95 -30.79 50.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.72 -54.35 47.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.437 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.8 mt -70.9 -40.55 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 82' ' ' ILE . 21.4 m95 -59.41 -52.07 67.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 107.956 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -52.2 -51.57 57.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 4.5 ttp180 -54.31 -34.78 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.62 -70.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.35 -46.59 47.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.77 96.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 106' ' ' ARG . . . -65.48 -43.86 88.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.43 -28.97 67.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.37 4.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -148.02 -52.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.497 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -113.91 176.66 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 -171.12 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -81.15 105.5 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.455 HG21 ' NE1' ' A' ' 118' ' ' TRP . 45.3 mm -81.78 134.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.515 ' CE ' HD12 ' A' ' 66' ' ' ILE . 23.7 ttpt -128.78 95.76 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.629 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 97.7 m95 -78.33 119.53 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 -175.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -117.62 85.91 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.353 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.629 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 1.8 m95 -83.74 142.51 30.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 107.984 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -119.79 166.6 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.214 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.82 -64.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -48.61 -33.9 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.25 -56.34 23.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.251 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -56.99 -31.4 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 25' ' ' ILE . 34.0 m -67.73 -49.87 60.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.261 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.46 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.99 -44.04 97.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 10' ' ' ASP . . . -57.21 -56.18 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -58.71 -35.56 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.69 83.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.05 -35.75 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.17 56.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 91.4 mmm -95.51 35.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -158.1 71.22 4.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.5 p -148.98 56.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.706 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.5 mt -159.87 143.98 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -80.01 146.44 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.75 167.18 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.5 m -89.19 -75.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -149.8 38.23 0.93 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.985 179.115 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.511 0.196 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.59 113.62 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -83.45 71.46 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -162.78 151.49 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 66' ' ' ILE . 5.6 t -84.14 133.11 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.01 140.2 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.445 HD12 HG11 ' A' ' 65' ' ' VAL . 50.7 mt -136.02 86.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -89.92 104.25 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -91.54 142.52 27.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.396 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -160.37 108.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.84 53.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 3.1 p -132.85 40.26 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.006 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.8 t -86.06 117.71 25.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.73 -36.97 18.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.06 -147.93 16.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -176.6 76.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.329 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.24 53.72 Favored 'Cis proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 -4.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.4 171.06 43.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.2 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.24 -159.7 8.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.73 -149.53 5.72 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 33.0 p90 -150.15 122.53 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 111.023 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.85 132.06 9.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -140.75 139.91 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.1 mt -93.06 111.2 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.647 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -94.94 140.67 29.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -123.52 100.82 7.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -111.67 -165.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -175.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -54.81 97.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.2 34.61 8.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -159.06 108.91 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.284 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -74.5 108.85 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.307 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -97.41 146.96 24.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.7 m -122.51 144.97 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 58' ' ' ALA . 35.7 m-85 -136.71 93.57 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.29 94.24 3.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . . . -89.4 179.35 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 106.82 0.48 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.93 174.5 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.033 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 p -107.08 -34.34 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -152.75 106.27 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.448 HG21 ' SD ' ' A' ' 47' ' ' MET . 2.1 t -160.02 165.89 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -178.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.6 p -98.81 150.11 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -57.29 -41.31 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.457 HD22 ' N ' ' A' ' 45' ' ' ASN . 1.3 m-80 -54.88 -56.6 17.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -56.02 -48.68 75.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.448 ' SD ' HG21 ' A' ' 42' ' ' THR . 35.9 mmt -57.13 -39.9 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -59.29 -45.21 91.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 104' ' ' TRP . 9.6 mt -59.61 -48.39 81.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.466 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 tpp -53.3 -34.71 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -69.32 -49.68 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.41 -55.18 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 50' ' ' MET . 55.1 t -55.0 -41.53 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' HB1' ' CD1' ' A' ' 26' ' ' LEU . . . -57.84 -54.45 46.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.9 mt -57.23 -46.66 82.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 106' ' ' ARG . 18.6 mt-10 -59.96 -42.44 94.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . . . -52.59 -36.32 55.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.362 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 28' ' ' TYR . 16.0 mt -54.58 127.13 26.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -97.8 27.6 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 179.18 105.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -55.68 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -131.04 175.12 9.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -178.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.44 136.2 7.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG11 HD12 ' A' ' 7' ' ' ILE . 11.3 t -137.03 133.78 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.7 tt -116.23 104.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.535 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.6 tt -87.17 140.78 29.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.7 t -134.25 127.41 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -169.42 -170.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -156.15 31.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -82.61 138.18 34.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.91 -42.18 61.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.507 ' OH ' HD12 ' A' ' 49' ' ' LEU . 14.1 t80 -50.39 -36.56 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.7 t -84.23 -51.02 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -46.99 -56.06 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.9 -50.75 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.08 -48.68 19.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 82' ' ' ILE . 44.3 mm -71.51 -68.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -94.71 39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -166.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.85 -51.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.456 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 41.7 m0 -86.59 -42.04 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.042 -171.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.667 HD12 HD13 ' A' ' 78' ' ' ILE . 66.3 mt -78.92 -33.57 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -175.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.65 -36.62 76.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.563 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -90.09 -48.1 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 47.3 m0 -57.91 -60.35 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -55.14 21.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -175.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -50.05 -56.98 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -51.74 -31.25 25.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.253 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.02 40.69 0.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.1 m95 50.96 64.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -152.97 163.57 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.2 p -90.43 -172.68 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.83 62.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -99.54 32.88 2.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.4 mttt 50.91 90.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -160.12 167.86 13.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.69 34.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.07 151.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -77.67 127.82 33.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.3 t30 61.63 42.55 10.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.99 -35.87 76.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.84 -37.08 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.51 ' CE2' HD11 ' A' ' 49' ' ' LEU . 13.0 m95 -60.07 -54.34 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 107.974 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.94 -46.24 64.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.4 ' CZ ' ' OE2' ' A' ' 57' ' ' GLU . 7.9 ttt180 -53.98 -43.67 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 49' ' ' LEU . 22.7 tp -65.59 -68.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -49.03 -47.73 44.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.6 83.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.06 -42.07 63.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.41 -30.07 66.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.96 54.37 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -147.56 -52.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 110.291 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 175.84 5.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 -171.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -79.82 110.47 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.9 mm -87.57 130.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -122.69 98.75 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.0 m95 -79.57 107.89 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.44 88.22 4.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.91 125.46 29.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 108.0 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.32 136.47 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -84.97 178.78 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.59 52.98 3.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 11.1 p-80 -151.46 -52.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.577 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 124' ' ' HIS . . . -93.91 35.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.92 149.94 43.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.408 ' CD2' ' OD1' ' A' ' 130' ' ' ASN . 0.1 OUTLIER -97.37 169.63 8.35 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 0.786 . . . . 0.0 109.6 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.8 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.47 1.774 . . . . 0.0 110.966 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -56.62 -45.9 81.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.408 ' OD1' ' CD2' ' A' ' 127' ' ' HIS . 14.1 m120 -56.9 -45.84 82.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -57.24 -37.49 72.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.9 ttp85 -67.82 -33.51 74.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.586 ' SG ' HD12 ' A' ' 25' ' ' ILE . 47.7 m -61.68 -47.33 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.268 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.83 -39.89 86.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.35 -51.11 69.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.04 -41.54 88.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 12' ' ' SER . . . -55.67 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.26 -41.73 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.23 75.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -78.55 -39.03 38.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.86 67.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 20.5 mmt -95.75 33.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -160.39 72.68 2.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.39 9.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 40.2 p -148.74 38.68 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.72 -168.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.8 141.76 23.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.38 102.03 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -94.33 -40.92 9.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -91.01 49.82 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -110.1 37.97 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.68 162.78 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.524 HG12 HG23 ' A' ' 155' ' ' VAL . 58.5 t -147.47 66.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.19 -40.91 90.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.524 HG23 HG12 ' A' ' 153' ' ' VAL . 73.0 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.288 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.1 mt -84.2 134.81 34.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -86.3 56.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.577 HE22 ' HB2' ' A' ' 64' ' ' GLU . 32.8 tp60 -165.08 140.51 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 59' ' ' LEU . 38.8 t -78.91 137.63 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 26' ' ' LEU . 10.1 tt0 -122.14 144.05 49.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 -175.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.499 HD12 HG11 ' A' ' 65' ' ' VAL . 58.8 mt -137.54 86.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -174.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.93 105.72 17.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 51' ' ' ALA . 11.7 p -91.48 153.95 19.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 -172.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.69 92.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.46 144.9 20.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.479 ' HB2' ' HB3' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -141.36 98.08 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.009 178.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -108.91 137.65 46.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' ' HB1' ' A' ' 141' ' ' ALA . 37.9 mt -81.93 -33.18 30.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.75 -151.49 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -168.24 77.66 0.84 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.1 89.18 Favored 'Cis proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -2.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.51 41.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' A' ' 141' ' ' ALA . . . -163.9 -155.94 8.53 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' ' HB1' ' A' ' 137' ' ' ALA . . . -170.82 169.46 42.43 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 31.3 p90 -118.76 114.74 23.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 111.013 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 133.57 11.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -136.22 123.13 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.373 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.7 mt -78.97 88.43 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.96 HD23 ' CE1' ' A' ' 35' ' ' PHE . 31.9 tp -91.64 106.74 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -92.96 98.0 11.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.22 -164.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -58.98 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -173.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.22 37.87 18.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -158.39 124.98 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -74.34 139.97 44.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -147.82 117.64 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.5 m -95.84 144.36 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.96 ' CE1' HD23 ' A' ' 26' ' ' LEU . 18.7 m-85 -128.25 88.32 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -127.05 93.3 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.999 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.58 ' HB1' HD12 ' A' ' 146' ' ' LEU . . . -85.89 -174.47 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.492 ' HA2' ' HB1' ' A' ' 140' ' ' ALA . . . -139.58 112.46 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -106.46 146.12 30.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 111.017 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 146' ' ' LEU . 28.0 p -86.26 -34.9 20.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.372 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ttt-85 -147.55 105.59 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -176.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.09 166.72 29.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.412 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -104.38 165.58 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -62.09 -42.79 99.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 m120 -54.49 -45.04 73.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -176.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.526 ' NH1' HD11 ' A' ' 103' ' ' LEU . 64.5 mtp85 -60.12 -53.28 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -36.83 53.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.12 -68.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.853 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -48.13 -35.84 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.479 ' HG2' ' CG ' ' A' ' 22' ' ' TYR . 2.4 ttm -58.88 -62.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -47.09 -39.45 13.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.5 -56.47 15.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 49' ' ' LEU . 41.0 mt -57.38 -61.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG21 ' CZ ' ' A' ' 22' ' ' TYR . 54.3 t -49.22 -45.74 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -171.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' A' ' 26' ' ' LEU . . . -58.29 -44.56 88.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 114' ' ' HIS . 12.1 mt -69.62 -33.03 72.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.26 -48.67 72.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.29 -38.99 55.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 5' ' ' VAL . 8.3 mt -61.83 97.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -96.18 46.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.43 155.15 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.787 ' CE1' HE21 ' A' ' 113' ' ' GLN . 9.3 m-70 -80.05 109.84 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.566 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.4 m -150.74 174.8 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.261 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HB2' HE22 ' A' ' 4' ' ' GLN . 32.2 mt-10 -77.91 169.3 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 7' ' ' ILE . 44.0 t -152.7 135.99 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD12 ' HB2' ' A' ' 117' ' ' LYS . 4.3 tp -113.05 110.19 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.64 HD13 ' CH2' ' A' ' 118' ' ' TRP . 1.0 OUTLIER -91.9 148.54 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -173.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.4 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.4 t -145.24 116.25 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 177.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -166.58 -170.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.399 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -160.15 34.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 t -84.69 116.27 23.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -58.88 -37.9 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 49' ' ' LEU . 18.7 t80 -54.45 -43.27 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 49' ' ' LEU . 59.4 t -78.15 -53.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -47.88 -55.84 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -176.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 33.8 mt-30 -69.05 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 81' ' ' TRP . . . -41.87 -34.24 1.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.929 HD13 HD12 ' A' ' 82' ' ' ILE . 22.9 mm -82.63 -69.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -174.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 HG22 ' A' ' 78' ' ' ILE . 27.3 p -93.98 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -152.5 -51.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 173.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.46 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 39.7 m0 -90.8 -41.14 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.032 -172.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.929 HD12 HD13 ' A' ' 78' ' ' ILE . 45.1 mt -82.66 -31.51 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -173.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -59.39 -34.87 72.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.558 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 -49.11 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' CG1' ' A' ' 98' ' ' VAL . 40.4 m0 -53.85 -56.06 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -49.61 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -174.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -50.79 -52.44 41.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -50.03 -28.77 7.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.61 37.1 1.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.2 m95 50.62 60.36 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -153.13 155.32 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 74.2 p -95.51 -170.84 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.18 88.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.01 34.66 2.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -177.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.1 pttt 44.35 36.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 155' ' ' VAL . 17.5 mttt -95.9 168.21 11.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.21 41.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG1' ' CZ3' ' A' ' 85' ' ' TRP . 48.4 t -82.87 150.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.43 121.47 20.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.57 41.94 14.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.403 HG22 ' HG3' ' A' ' 105' ' ' GLN . 10.7 p -56.92 -31.31 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -53.31 -53.83 45.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.311 -175.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.526 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.9 mt -71.63 -44.01 65.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -174.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.783 ' CH2' HD11 ' A' ' 49' ' ' LEU . 69.2 m95 -49.89 -57.42 7.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 107.985 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.403 ' HG3' HG22 ' A' ' 101' ' ' VAL . 28.6 mt-30 -48.99 -51.61 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -54.63 -37.45 65.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.84 -31.09 64.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -73.26 -60.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.37 -33.81 55.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.45 -34.76 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.93 HD23 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -50.05 -29.5 8.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -74.73 172.47 52.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.787 HE21 ' CE1' ' A' ' 62' ' ' HIS . 3.3 mm100 63.39 11.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.618 ' CD2' HD22 ' A' ' 56' ' ' LEU . 9.7 m-70 -139.86 116.48 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -169.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -79.44 88.39 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 163.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.93 HD12 HD23 ' A' ' 111' ' ' LEU . 50.8 mt -89.4 107.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -171.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 66' ' ' ILE . 40.2 mtpt -84.56 102.02 12.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 171.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.64 ' CH2' HD13 ' A' ' 67' ' ' LEU . 87.2 m95 -78.25 98.66 5.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.033 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -94.63 91.74 6.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.624 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 54.2 m95 -79.46 105.88 11.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.049 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 19.6 m -93.86 -178.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -85.85 133.92 33.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.48 -40.47 59.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -78.25 -56.07 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.59 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -91.38 51.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . -71.74 -113.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.434 ' CG ' ' C ' ' A' ' 126' ' ' GLY . 0.0 OUTLIER -155.71 167.74 13.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.615 -179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.3 6.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -59.74 -56.74 18.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.477 ' H ' HD22 ' A' ' 130' ' ' ASN . 2.2 m-80 -55.58 -36.24 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.12 -35.08 80.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -66.78 -49.51 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.75 -28.33 60.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 108.296 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.37 -40.03 89.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.74 -39.13 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.08 -43.88 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 21' ' ' GLY . . . -59.92 -43.4 94.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.584 ' O ' ' HB3' ' A' ' 141' ' ' ALA . 43.6 mtm180 -64.05 -39.33 93.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.97 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.492 ' HB1' ' HA2' ' A' ' 38' ' ' GLY . . . -64.21 -35.72 81.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 138' ' ' ARG . . . -57.03 -38.13 72.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 25.9 mmt -79.47 -25.4 41.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -144.26 78.36 13.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.3 m -156.78 -49.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' THR . 20.2 mt -81.47 -168.48 1.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -149.53 158.47 44.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.59 97.69 5.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.5 m -87.42 -42.22 12.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -92.18 49.57 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -104.72 147.71 27.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 111.039 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -146.92 -81.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 47.6 t 60.39 60.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -155.71 165.4 36.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 96' ' ' LYS . 14.5 p . . . . . 0 C--O 1.25 1.11 0 CA-C-O 116.957 -1.497 . . . . 0.0 109.316 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.496 0.188 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 136.78 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -84.57 64.8 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.446 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER -174.1 128.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -178.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 66' ' ' ILE . 12.1 t -81.47 131.3 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -112.54 101.56 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.595 HD12 ' CG1' ' A' ' 65' ' ' VAL . 70.7 mt -104.14 121.23 55.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -173.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -129.47 107.22 9.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -86.81 148.0 25.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -160.25 97.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 140.36 42.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.065 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.638 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 1.7 t -108.81 36.35 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.011 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.32 111.65 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 108.296 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -82.17 -41.06 20.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.98 -148.71 23.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -175.49 76.98 0.3 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.278 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.0 41.0 Favored 'Cis proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -6.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.97 174.14 46.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.29 -152.69 5.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.87 -150.16 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 37' ' ' ALA . 16.4 p90 -146.58 133.12 19.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 111.001 177.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.07 123.8 4.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -137.76 124.09 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.274 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.589 HD12 ' SG ' ' A' ' 133' ' ' CYS . 72.0 mt -80.58 118.05 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' CE2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -122.42 94.41 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -78.98 124.27 28.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -114.88 -165.07 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -55.79 97.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -171.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.33 34.27 18.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -158.99 116.99 2.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.29 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.96 108.43 10.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 51.6 mtmt -105.45 113.31 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.541 ' CG2' HD13 ' A' ' 136' ' ' LEU . 22.6 m -101.47 141.74 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.975 ' CE2' HD22 ' A' ' 26' ' ' LEU . 14.9 m-85 -126.22 94.61 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.994 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 t -131.82 81.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . . . -91.73 151.81 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 177.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 156.61 15.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.569 1.168 . . . . 0.0 111.005 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -135.92 169.99 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.983 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 144' ' ' PRO . 41.6 p -85.65 -35.86 20.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -175.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -164.51 114.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -160.91 163.3 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.396 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 p -92.05 172.85 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -77.4 -43.12 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.528 HD22 ' N ' ' A' ' 45' ' ' ASN . 1.1 m-80 -57.92 -53.21 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -56.54 -42.02 77.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.5 mmt -73.03 -35.54 66.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.2 -46.74 75.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.631 HD11 ' CZ2' ' A' ' 104' ' ' TRP . 10.4 mt -59.27 -56.83 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 52.6 tpp -47.51 -38.2 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -61.31 -59.63 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -57.88 -49.64 76.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.62 -57.89 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 50' ' ' MET . 53.4 t -52.23 -38.87 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -55.46 -48.2 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 177.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 114' ' ' HIS . 7.0 mt -73.33 -33.85 65.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 37.6 mt-10 -55.32 -49.88 71.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.345 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -52.77 -38.68 61.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.6 mt -71.29 133.99 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -141.4 52.67 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -175.39 170.67 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -68.18 76.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -161.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -168.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -141.64 107.3 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 172.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 7' ' ' ILE . 73.7 t -107.07 135.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -167.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 117' ' ' LYS . 4.1 tp -114.2 96.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 168.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 68' ' ' SER . 1.4 tt -85.83 141.01 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -173.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.436 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.9 t -136.02 121.0 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -160.36 175.32 12.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -138.19 31.99 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 173.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -80.34 116.46 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.26 -33.82 76.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.466 ' CE2' HD12 ' A' ' 49' ' ' LEU . 18.5 t80 -58.46 -42.03 86.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.54 -42.5 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.36 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -46.32 -57.85 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.25 -44.7 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.26 -54.12 13.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 82' ' ' ILE . 47.9 mm -68.28 -70.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.58 0.812 . . . . 0.0 109.312 -178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -94.99 40.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -164.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -159.48 -52.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.458 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 45.8 m0 -81.97 -43.63 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.054 -170.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 78' ' ' ILE . 83.7 mt -75.69 -35.03 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -175.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -58.39 -40.35 82.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.63 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.3 -45.7 11.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.458 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 50.1 m0 -60.99 -58.13 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.019 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.34 -57.6 10.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -173.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -52.07 -52.51 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -53.47 -32.23 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.33 43.82 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.6 m95 56.51 78.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' O ' ' CD1' ' A' ' 85' ' ' TRP . 65.8 mttt -145.93 -169.69 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 75.6 p -132.79 -61.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -157.25 -72.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -96.16 45.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.3 mttt 59.02 90.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -151.2 162.01 28.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.68 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 110.965 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.8 t -85.0 156.64 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -79.57 132.13 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 58.56 38.87 25.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.57 -34.81 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.544 ' HA ' HE21 ' A' ' 105' ' ' GLN . 3.9 p-10 -56.02 -48.79 75.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 150' ' ' GLY . 24.2 mt -73.34 -32.73 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 -175.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.631 ' CZ2' HD11 ' A' ' 49' ' ' LEU . 69.7 m95 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 102' ' ' ASP . 28.2 mt-30 -54.44 -48.15 72.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 10.4 ttt180 -57.62 -38.46 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 78' ' ' ILE . 23.4 tp -65.68 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -49.51 -47.89 48.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -172.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.31 86.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.05 61.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.47 -23.56 62.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.36 47.5 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -137.64 -50.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.763 . . . . 0.0 110.309 168.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -107.06 163.37 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -168.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -78.57 106.73 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.269 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 118' ' ' TRP . 48.2 mm -81.4 110.83 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.5 ' HB3' HD12 ' A' ' 66' ' ' ILE . 8.4 tppt? -98.35 103.82 15.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 170.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.509 ' CE2' HG21 ' A' ' 116' ' ' ILE . 97.3 m95 -77.8 92.02 4.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.019 -177.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -97.35 89.1 4.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -83.32 121.2 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.586 HG21 ' NE2' ' A' ' 127' ' ' HIS . 6.2 m -86.01 171.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -174.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.32 67.4 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.67 89.38 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.416 ' CD2' ' N ' ' A' ' 125' ' ' ALA . 38.5 p-80 -150.84 -55.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 174.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.416 ' N ' ' CD2' ' A' ' 124' ' ' HIS . . . -98.51 27.0 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.477 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . 46.68 -165.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.586 ' NE2' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -158.05 169.09 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.638 176.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.72 5.17 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -67.18 -53.03 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -64.01 -36.16 83.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -55.05 -45.25 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -65.8 -37.33 85.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.589 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.9 m -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 108.296 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 137' ' ' ALA . 20.1 t0 -59.1 -42.37 90.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.7 -48.25 78.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.541 HD13 ' CG2' ' A' ' 34' ' ' THR . 8.0 mt -58.81 -42.23 88.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.638 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -52.22 -48.35 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -56.74 -43.06 80.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 136' ' ' LEU . . . -54.85 -39.71 68.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.06 -38.79 56.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.24 -32.65 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 15.0 mmt -94.28 36.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -155.69 67.96 4.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 175.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 -9.17 20.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -170.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 27.3 p -95.8 88.97 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -171.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.452 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -150.93 -170.14 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.33 113.07 17.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -81.99 88.56 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -100.72 -41.62 6.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 103' ' ' LEU . . . -56.69 -49.1 72.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -103.37 102.09 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -155.89 159.22 39.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 57.9 t -85.71 64.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -79.17 -69.03 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.013 -1.47 . . . . 0.0 109.287 -179.711 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.492 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 64.33 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -126.5 58.92 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -152.25 150.26 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG22 ' A' ' 65' ' ' VAL . 2.6 t -85.96 116.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.51 105.85 12.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.31 -164.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 55' ' ' ALA . 40.1 mm -109.73 78.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -170.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.73 104.96 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 175.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.4 p -100.72 150.03 23.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -160.2 124.44 3.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 174.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.58 145.99 16.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -161.39 127.92 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.7 t -114.4 148.62 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 108.297 173.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 141' ' ' ALA . 0.1 OUTLIER -129.46 64.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -176.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.63 -143.26 3.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -170.71 78.35 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -66.7 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.019 5.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.23 173.01 22.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.043 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA3' HG23 ' A' ' 42' ' ' THR . . . -64.73 152.21 50.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -172.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.45 116.7 5.3 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -104.24 120.43 41.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 111.014 -176.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -140.09 111.32 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 35' ' ' PHE . . . -142.83 98.29 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 175.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -81.89 102.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 7' ' ' ILE . 3.4 tt -101.29 96.64 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -174.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.67 102.02 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.304 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.41 174.91 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -49.52 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.7 32.32 24.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -149.16 87.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.307 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.81 109.66 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -117.09 131.81 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 37.2 m -96.57 145.41 25.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.42 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.66 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 21.8 m-85 -141.26 90.71 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -151.14 70.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -171.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.57 -168.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 127.27 2.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.64 174.68 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 111.001 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -99.36 -46.14 5.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -124.22 92.11 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -172.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.429 HG23 ' HA3' ' A' ' 20' ' ' GLY . 1.4 t -162.55 143.03 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.6 p -82.58 173.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.36 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.33 -38.82 71.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -54.93 -66.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -178.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' NH1' ' CD1' ' A' ' 151' ' ' TYR . 15.2 ptm180 -61.5 -28.94 69.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.3 mmt -53.63 -63.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 28.0 mt-10 -54.29 -38.41 65.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 104' ' ' TRP . 1.3 mt -51.64 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.45 ' HB3' HD13 ' A' ' 103' ' ' LEU . 5.1 ptp -64.92 -24.11 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -172.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -52.06 -59.06 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 174.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.2 83.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 103' ' ' LEU . 38.9 mt -55.96 -60.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 76.7 t -59.79 -26.71 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 7' ' ' ILE . . . -66.12 -52.9 44.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 171.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD23 HG11 ' A' ' 65' ' ' VAL . 8.7 mt -60.38 -34.04 73.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -80.32 -32.01 38.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -57.9 -42.12 84.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 61' ' ' GLU . 1.2 pp -57.29 -172.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -158.58 31.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.539 ' H ' HD12 ' A' ' 59' ' ' LEU . 17.0 mt-10 -156.12 111.88 3.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.43 84.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.866 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m -141.82 162.1 36.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.255 -165.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -46.52 130.6 11.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.24 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 63' ' ' CYS . 49.3 t -135.32 131.23 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 tt -99.43 145.47 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.4 OUTLIER -131.73 90.97 2.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -172.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 m -80.91 105.45 12.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 m -142.59 169.59 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.63 46.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -100.61 146.58 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -79.67 -34.27 40.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.512 ' OH ' HD12 ' A' ' 49' ' ' LEU . 12.9 t80 -70.48 -47.41 60.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -68.97 -57.23 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -47.13 -47.52 23.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.54 -56.98 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.383 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.69 -40.73 18.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' A' ' 82' ' ' ILE . 22.6 mt -79.85 -69.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 HG22 ' A' ' 78' ' ' ILE . 82.1 p -93.76 38.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 -168.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.62 -48.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -90.41 -58.79 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 78' ' ' ILE . 13.5 mt -56.99 -35.2 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -167.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -57.69 -38.95 76.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.61 -44.33 12.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -58.92 -46.73 87.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -176.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -57.18 -60.88 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.96 -44.56 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -50.66 -30.5 13.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.49 38.46 1.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.9 m95 57.52 47.06 16.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -142.34 142.97 32.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.593 HG23 HG22 ' A' ' 98' ' ' VAL . 41.5 p -93.26 -34.6 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.74 -163.14 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.59 90.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 -175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.9 tttt 66.02 58.91 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -133.29 155.77 80.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.593 HG22 HG23 ' A' ' 92' ' ' THR . 95.0 t -100.29 149.06 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 176.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.92 125.34 27.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.427 ' ND2' HD13 ' A' ' 49' ' ' LEU . 43.7 t-20 58.96 53.3 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.245 -177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.1 -38.43 71.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -174.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.65 -56.24 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 53' ' ' ILE . 68.1 mt -63.07 -40.3 97.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -176.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.743 ' CZ3' HD11 ' A' ' 82' ' ' ILE . 7.0 m95 -59.21 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -52.94 -41.47 64.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HB2' HG21 ' A' ' 53' ' ' ILE . 99.4 mtt180 -62.08 -34.71 76.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD22 ' CG1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -58.86 -59.51 5.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 173.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.98 -46.8 76.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -171.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.2 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.95 -36.92 59.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.589 ' HA ' HD13 ' A' ' 116' ' ' ILE . 6.8 mt -56.06 -32.35 64.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.61 52.2 2.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -174.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -140.0 -53.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.312 169.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 1.3 p-80 -125.66 -178.04 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -89.63 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 173.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.603 HD12 ' N ' ' A' ' 116' ' ' ILE . 4.0 mp -87.89 92.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 174.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -83.79 106.89 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.681 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 36.3 m95 -84.06 97.78 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 107.997 -171.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.95 102.4 9.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.432 ' CZ2' ' CB ' ' A' ' 118' ' ' TRP . 16.5 m95 -84.76 110.03 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.531 HG12 ' HB3' ' A' ' 125' ' ' ALA . 21.8 m -100.54 154.46 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -155.38 67.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.94 -55.76 4.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -57.23 -53.48 57.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.643 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.531 ' HB3' HG12 ' A' ' 121' ' ' VAL . . . -89.89 56.69 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.435 ' C ' ' CG ' ' A' ' 127' ' ' HIS . . . -98.62 157.86 20.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.49 ' CD2' ' N ' ' A' ' 127' ' ' HIS . 0.0 OUTLIER -157.08 170.4 9.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 0.0 109.58 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.09 6.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 110.969 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -57.38 -45.09 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -54.46 -44.35 72.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -55.96 -38.44 70.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -67.9 -35.03 77.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 39.2 m -61.95 -50.72 70.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.88 -47.34 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.76 -42.36 71.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.23 -38.85 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -63.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -34.33 66.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -175.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.35 80.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.0 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -56.09 -42.31 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.91 35.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -161.2 80.87 2.08 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.44 14.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.034 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 36.3 p -150.37 -56.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.42 178.99 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -172.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.03 155.37 19.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -88.3 133.78 33.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 149' ' ' THR . 14.3 t -101.12 41.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.68 -45.68 0.59 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . 0.483 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 3.0 m-30 -94.47 179.14 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 110.986 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 62.17 33.64 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 23.3 m -151.72 43.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.44 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.956 -1.497 . . . . 0.0 109.27 -179.446 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.466 0.174 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 mt -83.8 133.12 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -84.17 64.02 8.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -160.04 -178.64 7.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 66' ' ' ILE . 11.6 t -87.75 131.68 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -125.44 138.9 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 65' ' ' VAL . 63.0 mt -132.84 103.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -177.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.72 104.2 14.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.0 p -90.94 143.34 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.415 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -160.3 97.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.36 162.65 33.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.2 p -152.67 91.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.42 130.91 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.288 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.2 -43.18 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.352 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.7 -146.48 15.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.107 . . . . 0.0 110.983 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -176.38 76.35 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.31 68.77 Favored 'Cis proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -2.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.41 173.54 43.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.46 -164.19 9.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 177.73 35.7 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 31.2 p90 -123.99 98.72 5.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.85 121.33 6.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -145.64 135.0 23.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.45 HD12 ' SG ' ' A' ' 133' ' ' CYS . 89.1 mt -88.64 158.0 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 35' ' ' PHE . 7.2 tp -135.61 153.17 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -135.39 90.21 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE1' HD22 ' A' ' 59' ' ' LEU . 1.9 t80 -113.13 124.07 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 63.56 -154.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.35 30.62 4.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -140.12 133.04 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 110.277 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -87.9 144.35 26.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -131.76 178.23 6.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.503 HG21 HD13 ' A' ' 136' ' ' LEU . 47.6 m -151.79 154.07 35.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.742 ' CE2' HD22 ' A' ' 26' ' ' LEU . 24.0 m-85 -140.04 93.72 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -135.35 86.11 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 -177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 140' ' ' ALA . . . -90.18 -175.86 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.71 120.38 2.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -101.48 155.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 111.021 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 146' ' ' LEU . 31.4 p -83.58 -47.18 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -142.54 109.53 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.18 164.42 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -98.68 176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.371 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.12 -41.76 49.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.471 ' OD1' ' CD1' ' A' ' 73' ' ' TYR . 1.4 m-80 -53.89 -59.9 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -52.62 -38.67 60.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -54.9 37.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -52.68 -45.16 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD2' HD22 ' A' ' 107' ' ' LEU . 10.0 mt -60.4 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.414 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 tpp -54.36 -33.33 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -68.85 -51.03 44.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.86 87.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.2 mt -68.59 -59.75 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -175.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' MET . 56.1 t -52.64 -43.02 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -175.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.46 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD21 HG11 ' A' ' 65' ' ' VAL . 50.9 mt -61.13 -46.54 90.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 106' ' ' ARG . 24.0 mt-10 -56.84 -40.18 75.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 35' ' ' PHE . . . -56.89 -36.34 70.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 28' ' ' TYR . 36.4 mt -54.85 128.33 32.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -99.11 26.92 5.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 178.86 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -55.88 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.1 m -131.01 174.74 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.268 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -46.28 135.23 8.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 63' ' ' CYS . 11.7 t -137.28 133.71 46.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 5' ' ' VAL . 7.9 tt -117.37 102.91 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 1.2 tt -82.65 140.55 33.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.3 t -132.5 123.34 26.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.2 t -169.38 -169.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -159.65 34.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -80.79 136.98 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -72.56 -38.26 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.475 ' OH ' HD12 ' A' ' 49' ' ' LEU . 12.8 t80 -56.16 -39.43 72.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.62 -49.34 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -47.73 -57.79 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.64 -50.71 19.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' CE3' ' A' ' 81' ' ' TRP . . . -47.43 -43.43 20.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 82' ' ' ILE . 36.5 mm -76.36 -72.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 p -67.06 -29.04 68.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -167.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -58.0 2.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 -168.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.536 ' HA ' HD21 ' A' ' 84' ' ' ASN . 51.2 m0 -77.43 -44.67 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -165.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.1 tt -49.76 -35.22 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -172.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -58.32 -72.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.57 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.536 HD21 ' HA ' ' A' ' 81' ' ' TRP . 6.9 p30 -57.36 -38.98 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -177.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -57.96 -63.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 107.985 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -55.35 -55.64 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -50.66 -52.67 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -51.74 -31.05 25.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.42 41.71 0.79 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.3 m95 56.52 47.73 18.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -150.11 -179.34 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.7 p -91.12 -171.86 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.92 -36.09 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.9 32.93 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.6 mttt 50.99 90.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -160.06 168.15 12.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 142.72 28.26 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.0 t -82.67 151.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -76.87 130.11 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 59.78 38.93 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.44 -40.15 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' HA ' HE21 ' A' ' 105' ' ' GLN . 5.5 p-10 -63.37 -49.87 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 57.9 mt -64.16 -35.6 81.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 49' ' ' LEU . 21.4 m95 -61.21 -56.07 24.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.426 HE21 ' HA ' ' A' ' 102' ' ' ASP . 30.4 mt-30 -48.75 -49.25 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' CZ ' ' OE1' ' A' ' 57' ' ' GLU . 9.1 ttt180 -54.11 -39.04 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 49' ' ' LEU . 32.2 tp -72.02 -67.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.2 -43.64 42.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.13 89.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.11 75.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -57.95 -32.35 67.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.77 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -148.55 -52.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 110.351 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 176.2 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.618 -173.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -79.92 109.8 14.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.02 132.06 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -126.74 99.24 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 67' ' ' LEU . 99.2 m95 -79.89 111.2 15.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -99.01 87.25 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -79.93 115.5 19.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.411 HG11 ' CE1' ' A' ' 127' ' ' HIS . 28.7 m -116.85 159.46 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.33 136.72 34.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.17 78.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.425 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 33.0 p-80 -71.11 -52.74 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' CG ' ' A' ' 124' ' ' HIS . . . -90.56 53.64 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -92.76 176.31 37.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.411 ' CE1' HG11 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -95.72 168.4 10.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.569 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -35.51 3.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.0 -41.07 77.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.17 -44.16 83.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -57.48 -39.15 75.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -67.05 -34.66 78.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' A' ' 25' ' ' ILE . 56.8 m -59.79 -52.39 65.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.263 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.43 -41.39 89.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -52.18 -45.17 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.503 HD13 HG21 ' A' ' 34' ' ' THR . 11.0 mt -68.89 -40.16 79.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.64 76.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.9 ttm105 -66.86 -49.92 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.72 88.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 37' ' ' ALA . . . -72.16 -37.21 69.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.49 69.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 32.5 tpp -94.93 35.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -160.23 77.25 2.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 85.6 m -104.8 -34.45 8.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.456 HD12 ' HB1' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -86.42 -168.08 2.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -177.421 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -139.62 155.43 47.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -79.36 123.13 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.0 m -53.44 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -148.83 39.14 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -47.8 133.35 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -156.02 137.46 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 60.7 t -147.35 65.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.38 -45.6 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.989 -1.481 . . . . 0.0 109.271 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.555 0.217 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.6 mt -82.91 108.69 16.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -84.15 60.63 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -165.19 154.53 12.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 59' ' ' LEU . 11.9 t -79.96 133.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -120.31 142.03 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.566 HD12 HG11 ' A' ' 65' ' ' VAL . 67.7 mt -134.94 101.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' CD2' ' OG ' ' A' ' 68' ' ' SER . 79.4 m-85 -101.7 103.21 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 52' ' ' ALA . 75.8 p -87.61 142.54 27.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 110.383 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 11.6 t0 -160.37 90.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 172.99 53.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.583 ' CB ' ' HB1' ' A' ' 137' ' ' ALA . 3.9 t -157.17 109.64 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.945 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.1 p -132.09 151.05 51.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 HD12 ' HD2' ' A' ' 19' ' ' PRO . 3.6 mt -80.43 -53.7 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.36 100.23 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t30 53.66 90.1 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -78.38 0.0 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 O-C-N 124.549 1.815 . . . . 0.0 110.947 -5.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.95 79.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.02 61.62 5.72 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.74 -150.18 9.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.02 -174.16 22.4 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' O ' ' CD2' ' A' ' 22' ' ' TYR . 32.1 p90 -122.75 99.79 6.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 111.02 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.34 104.33 2.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . . . -130.72 114.65 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.306 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.507 HD12 ' SG ' ' A' ' 133' ' ' CYS . 70.0 mt -92.92 102.03 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD23 ' CZ ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -101.2 119.51 38.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -177.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 26' ' ' LEU . 21.8 ttm-85 -101.59 125.82 48.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -105.44 -164.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -53.54 96.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.02 42.11 15.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -158.67 110.13 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.3 143.33 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.299 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -140.34 146.54 38.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.3 m -110.39 143.35 40.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.769 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 7.0 m-85 -144.16 89.24 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -151.61 95.98 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.045 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.16 -171.63 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.41 114.03 2.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -104.42 129.43 52.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 111.021 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 146' ' ' LEU . 18.9 p -78.63 -25.4 45.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -146.02 107.17 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -160.87 164.7 31.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -114.49 -166.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -76.11 -55.1 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -52.73 -38.22 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -177.518 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH2' HD11 ' A' ' 103' ' ' LEU . 44.2 mtp85 -65.38 -60.37 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.5 mmt -55.93 -45.3 78.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -51.3 -53.48 35.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 104' ' ' TRP . 14.2 mt -59.54 -53.29 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.8 tpp -48.23 -40.99 26.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -60.18 -68.87 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 9' ' ' THR . . . -55.93 -43.15 77.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -176.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.48 -59.52 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' MET . 24.3 t -46.72 -41.64 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.09 38.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 7' ' ' ILE . 27.0 mt -63.18 -42.68 99.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -55.99 -43.77 77.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.23 54.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 5' ' ' VAL . 7.5 mt -72.57 102.58 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -100.89 54.09 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -176.52 156.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' A' ' 113' ' ' GLN . 2.6 m-70 -80.43 112.21 17.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 114' ' ' HIS . 24.0 m -143.28 -146.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 -178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -123.89 165.93 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG11 HD12 ' A' ' 7' ' ' ILE . 56.4 t -152.97 149.4 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -176.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 5' ' ' VAL . 8.0 tt -130.25 99.78 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 172.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 67' ' ' LEU . 7.5 tt -84.11 134.71 34.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -175.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.411 ' OG ' ' CD2' ' A' ' 8' ' ' PHE . 9.5 p -124.71 124.73 42.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.3 t -166.83 -169.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.75 32.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -90.35 105.44 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -55.23 -34.29 63.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 45' ' ' ASN . 3.9 t80 -52.66 -43.19 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.88 -53.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -45.12 -46.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -69.1 -67.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -43.69 -37.41 3.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 79' ' ' THR . 13.5 mm -67.9 -75.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 78' ' ' ILE . 41.6 p -69.12 -28.71 66.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.33 -66.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.259 -170.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.415 ' CG ' ' HA2' ' A' ' 77' ' ' GLY . 50.5 m0 -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 107.997 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 3.5 tt -49.53 -35.97 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -173.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -59.07 -72.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -56.57 -39.64 73.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -58.08 -72.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 107.979 -178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -52.93 39.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -48.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -49.64 -29.27 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.6 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 58.1 m95 52.74 47.78 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -150.54 179.91 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.5 p -93.36 -172.46 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.77 42.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 95' ' ' LYS . 4.4 p-10 -97.24 39.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' ASP . 49.9 pttt 38.97 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -148.34 166.37 15.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.88 29.55 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.97 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.3 t -85.94 150.19 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -76.19 128.34 34.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 60.51 39.44 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.24 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -60.72 -47.17 87.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.446 HD11 ' NH2' ' A' ' 46' ' ' ARG . 32.6 mt -68.7 -38.72 80.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 49' ' ' LEU . 16.6 m95 -62.7 -47.74 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.019 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.26 -55.67 19.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.08 -38.71 65.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.54 HD23 ' CZ3' ' A' ' 104' ' ' TRP . 21.3 tp -62.74 -42.19 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.42 -56.0 9.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.27 -40.43 71.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 114' ' ' HIS . . . -68.21 -31.21 70.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 116' ' ' ILE . 1.1 mt -74.63 -10.43 59.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.13 -37.12 25.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 62' ' ' HIS . 8.9 mt-30 -78.22 -70.15 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -93.34 153.11 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 -170.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -91.8 100.98 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.69 HD12 HD23 ' A' ' 111' ' ' LEU . 4.4 mt -87.53 113.18 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HE2' HD12 ' A' ' 66' ' ' ILE . 30.7 ttpt -79.87 113.79 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 120' ' ' TRP . 74.8 m95 -79.32 90.64 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.026 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -91.94 89.72 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.341 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 118' ' ' TRP . 8.7 m95 -79.93 112.75 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.5 m -111.27 140.99 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -85.49 174.0 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.45 -36.5 63.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -59.13 -40.96 87.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.751 . . . . 0.0 109.63 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -90.34 53.08 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.88 120.85 6.58 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.83 168.57 10.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 109.583 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -57.8 -45.78 85.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -63.1 -42.15 99.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -54.02 -37.65 64.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.83 -35.38 67.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.507 ' SG ' HD12 ' A' ' 25' ' ' ILE . 61.4 m -59.02 -45.1 91.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -63.09 -44.77 94.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.11 -42.11 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.93 -42.29 73.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 12' ' ' SER . . . -58.03 -44.48 87.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -76.77 -50.63 13.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.93 67.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.83 64.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.19 -34.36 68.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 14.3 mmt -93.36 32.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -160.3 78.17 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.07 29.69 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.4 p -149.32 -50.93 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.373 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.702 ' O ' HG23 ' A' ' 40' ' ' THR . 10.6 mt -97.03 -177.13 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -137.78 151.85 48.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 110.305 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -79.77 120.35 23.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 94.1 m -92.7 -34.65 13.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -93.71 44.96 2.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -109.67 104.12 13.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.018 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -155.95 106.94 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.94 68.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -78.2 -69.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.486 ' OXT' HG12 ' A' ' 155' ' ' VAL . 60.4 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.041 -1.456 . . . . 0.0 109.294 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.531 0.205 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.5 135.08 34.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -86.79 57.26 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.529 ' OE1' HG21 ' A' ' 66' ' ' ILE . 32.8 tt0 -172.64 147.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.687 ' O ' HG22 ' A' ' 66' ' ' ILE . 59.0 t -84.69 142.09 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 27' ' ' ARG . 38.9 mt-10 -126.89 137.02 53.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' CG1' ' A' ' 65' ' ' VAL . 74.2 mt -135.79 94.91 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -98.33 106.26 18.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.0 p -100.38 146.85 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.441 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -160.68 97.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.14 161.42 41.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -157.94 87.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.974 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.23 136.19 33.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.288 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.17 -35.9 41.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.12 -152.8 8.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -170.19 76.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 43' ' ' THR . 18.2 Cg_endo -75.0 169.82 73.54 Favored 'Cis proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -0.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.69 173.74 46.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 111.046 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.5 2.5 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 141' ' ' ALA . . . -144.37 -165.22 10.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.43 163.95 36.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' O ' ' HA ' ' A' ' 36' ' ' SER . 50.7 p90 -113.28 126.54 55.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 36' ' ' SER . . . -102.59 116.12 5.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.3 102.55 6.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.644 HD12 ' SG ' ' A' ' 133' ' ' CYS . 79.9 mt -85.1 114.59 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 6' ' ' GLU . 11.0 tp -91.79 155.93 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . 19.5 ttm-85 -141.77 98.84 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 174.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.73 -164.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -55.94 91.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.97 28.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -158.05 107.13 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -80.4 140.31 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -143.65 130.14 20.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 m -94.13 150.76 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -147.52 98.37 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 9.4 t -161.6 97.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.93 173.05 8.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.91 163.52 15.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -147.61 149.4 32.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 110.967 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 146' ' ' LEU . 33.6 p -94.95 -29.84 14.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.1 ttt-85 -146.29 97.34 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 t -149.34 170.14 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 17' ' ' PRO . 46.3 p -123.98 170.68 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.7 -41.41 97.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 73' ' ' TYR . 14.5 m120 -59.11 -53.49 57.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -56.99 -49.11 76.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.6 mmt -61.35 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.21 -52.98 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 53' ' ' ILE . 20.1 mt -60.96 -49.84 75.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.781 ' O ' HG23 ' A' ' 54' ' ' VAL . 59.8 tpp -51.32 -35.45 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -177.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 22' ' ' TYR . . . -64.46 -55.82 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -177.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 67' ' ' LEU . . . -66.31 -37.36 85.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 49' ' ' LEU . 65.4 mt -71.93 -45.9 62.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -173.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 50' ' ' MET . 75.3 t -63.04 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.53 83.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD21 HG11 ' A' ' 65' ' ' VAL . 48.2 mt -63.36 -47.5 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.06 -36.5 68.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.83 73.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 5' ' ' VAL . 49.9 mt -62.56 121.42 13.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -102.8 38.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.49 112.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 113' ' ' GLN . 32.3 m170 -55.77 112.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.747 ' O ' ' CG ' ' A' ' 114' ' ' HIS . 64.7 m -147.26 175.42 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.1 138.04 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.619 ' CG1' HD12 ' A' ' 7' ' ' ILE . 72.2 t -131.91 130.64 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 5' ' ' VAL . 12.0 tt -116.74 112.53 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 68' ' ' SER . 1.1 tt -93.74 145.59 24.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.527 ' N ' HD23 ' A' ' 67' ' ' LEU . 8.7 t -140.01 115.57 10.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.076 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -165.9 145.95 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.407 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -92.6 38.24 1.01 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -87.4 119.88 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.012 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -80.81 -39.72 26.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.493 ' O ' ' HA3' ' A' ' 77' ' ' GLY . 15.2 t80 -57.75 -37.93 74.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.963 ' O ' HG12 ' A' ' 78' ' ' ILE . 64.6 t -81.87 -41.79 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.531 ' HA ' ' CH2' ' A' ' 120' ' ' TRP . 75.8 ttt180 -57.38 -56.99 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.917 ' O ' ' CB ' ' A' ' 80' ' ' GLN . 36.0 mt-30 -74.18 -44.9 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.52 ' HA2' ' CG ' ' A' ' 81' ' ' TRP . . . -53.57 -33.43 47.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 1.402 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 37.7 mm -79.8 -66.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -176.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.2 p -96.04 35.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.917 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -147.66 -53.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 178.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.632 ' HB3' ' CZ3' ' A' ' 85' ' ' TRP . 34.4 m0 -90.78 -42.98 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.402 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 12.7 tt -68.63 -34.64 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -50.65 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.585 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 24.7 m-80 -71.47 -30.85 66.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.993 ' O ' ' HA ' ' A' ' 90' ' ' TRP . 51.3 m0 -81.86 -5.78 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 107.991 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 82' ' ' ILE . 32.4 ttpt -92.33 -80.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 165.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 88' ' ' ARG . 55.2 tttm -47.89 -59.54 3.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -164.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 1.2 mmt180 -44.47 -97.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.57 5.17 5.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -169.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.993 ' HA ' ' O ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER 72.43 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.801 ' HA ' ' CG2' ' A' ' 98' ' ' VAL . 80.7 tttt -152.97 166.94 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -171.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 96' ' ' LYS . 36.0 p -73.21 142.59 47.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -173.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.52 63.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 95' ' ' LYS . 24.4 p-10 -85.8 48.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -176.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' C ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER 30.35 63.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.778 ' C ' ' HE3' ' A' ' 91' ' ' LYS . 43.2 mttm -141.09 170.41 9.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 18.3 Cg_endo -75.01 145.68 31.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.801 ' CG2' ' HA ' ' A' ' 91' ' ' LYS . 98.8 t -77.72 148.42 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 175.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.768 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 25.5 tptp -69.71 118.69 12.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 57.48 45.81 19.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.68 -40.78 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.33 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 mt -71.78 -36.22 70.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.768 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 24.2 m95 -57.11 -50.75 71.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.015 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -51.22 -47.14 62.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -59.96 -38.46 82.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.3 tp -73.83 -56.73 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -55.57 -43.72 76.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 113' ' ' GLN . . . -65.2 -47.0 78.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 -178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.7 98.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.9 -37.46 87.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.81 53.52 4.86 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.047 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 71.9 mm-40 -144.69 -58.27 0.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 110.284 177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.747 ' CG ' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -110.58 -178.12 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.586 -178.086 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -78.59 144.43 35.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.4 mm -121.1 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HB3' HG13 ' A' ' 66' ' ' ILE . 12.2 tppt? -120.78 98.35 5.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 175.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.644 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 98.3 m95 -80.48 95.01 6.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.035 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -92.91 89.59 6.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.644 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 33.8 m95 -82.87 102.03 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.028 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.02 168.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -82.77 130.29 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.21 94.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -75.58 -56.36 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.578 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -90.26 52.24 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -95.69 -167.61 35.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.23 167.98 11.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.627 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.84 5.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -54.32 -40.06 67.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -58.78 -42.96 90.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.38 -39.81 80.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -69.44 -35.67 75.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 25' ' ' ILE . 74.7 m -59.07 -46.58 87.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 108.343 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -58.48 -43.99 89.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.86 -39.89 69.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.38 -50.63 69.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.98 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 142' ' ' MET . 25.5 ttm105 -65.29 -38.04 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.48 94.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.49 -39.32 28.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.494 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . . . -59.8 -39.1 83.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 138' ' ' ARG . 93.3 mmm -78.63 -28.49 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -137.62 77.04 40.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 145' ' ' THR . 97.9 m -151.56 38.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 40' ' ' THR . 4.1 mt -156.18 -164.8 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -142.11 153.0 43.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.38 99.69 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.3 m -94.91 84.92 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 165.27 -34.27 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -100.77 107.99 19.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 110.963 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -154.51 167.28 30.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.84 63.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -155.73 -58.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 80.6 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 117.034 -1.46 . . . . 0.0 109.301 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.519 0.2 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt -84.85 109.45 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -97.47 66.82 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.235 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -159.45 151.26 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.248 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 66' ' ' ILE . 4.3 t -86.66 133.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -126.8 140.05 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 65' ' ' VAL . 54.9 mt -136.24 86.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -176.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.81 102.93 14.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.6 p -82.37 149.6 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 -171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.649 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 5.9 p-10 -160.5 90.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.02 158.35 29.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HB1' ' A' ' 137' ' ' ALA . 2.5 t -155.79 124.25 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 t -135.23 133.94 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 108.239 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.48 -31.31 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.6 -155.63 9.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -167.14 77.94 0.99 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.02 65.13 Favored 'Cis proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -0.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.0 172.57 44.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.19 16.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.68 -157.5 10.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.98 170.24 35.36 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.688 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 32.5 p90 -123.78 97.7 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 111.001 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.13 21.01 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.58 118.54 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.718 HD12 ' SG ' ' A' ' 133' ' ' CYS . 56.7 mt -83.29 112.89 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 177.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 150.48 21.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -130.9 91.63 3.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -109.39 122.22 46.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 63.01 -153.77 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -171.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 28.37 4.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 173.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.6 128.26 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -88.69 140.18 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.363 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -130.03 174.75 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.4 m -146.57 145.74 30.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE2' ' HB1' ' A' ' 58' ' ' ALA . 38.3 m-85 -137.09 99.79 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -142.07 84.58 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 146' ' ' LEU . . . -90.51 -173.82 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.1 171.95 15.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -150.57 154.35 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 111.017 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.9 p -92.08 -31.47 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -155.0 111.84 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -160.18 164.78 32.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.8 p -101.8 168.63 9.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.65 -42.87 81.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 6.7 m120 -65.58 -44.57 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -177.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' NH1' HD11 ' A' ' 103' ' ' LEU . 55.9 mtp85 -55.09 -39.51 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -57.4 13.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 41.0 mt-10 -48.45 -45.17 36.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 104' ' ' TRP . 14.4 mt -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 34.5 tpp -42.51 -37.43 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . -61.23 -62.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.7 83.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.3 -58.59 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 55.6 t -60.32 -31.58 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -174.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -56.06 26.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 65' ' ' VAL . 70.3 mt -58.29 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.96 -38.57 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' ' CE2' ' A' ' 35' ' ' PHE . . . -55.25 -37.21 66.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.17 138.33 7.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -96.42 25.81 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 174.03 127.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -74.74 101.92 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' VAL . 31.6 m -136.44 175.92 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 108.266 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.98 139.68 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 56' ' ' LEU . 10.6 t -138.63 126.59 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.515 HD12 ' CE ' ' A' ' 117' ' ' LYS . 12.9 tt -107.35 118.17 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 173.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.547 HD13 ' CZ3' ' A' ' 118' ' ' TRP . 0.9 OUTLIER -101.61 132.8 47.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -177.107 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.34 128.77 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -170.01 -172.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -153.64 32.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.8 t -78.39 137.76 38.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -81.93 -33.85 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 45' ' ' ASN . 86.5 t80 -63.34 -39.3 94.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.15 -56.39 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -45.54 -52.41 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 80' ' ' GLN . 38.2 mt-30 -71.94 -61.75 1.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' TRP . . . -41.18 -33.91 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.79 HD13 HD12 ' A' ' 82' ' ' ILE . 31.5 mm -86.01 -66.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -172.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.5 p -93.96 41.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -153.18 -51.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 172.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.479 ' O ' ' CG ' ' A' ' 85' ' ' TRP . 42.3 m0 -88.08 -38.01 15.78 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -173.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.79 HD12 HD13 ' A' ' 78' ' ' ILE . 57.4 mt -87.17 -31.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -57.78 -33.98 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -95.74 -50.66 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.479 ' CG ' ' O ' ' A' ' 81' ' ' TRP . 39.9 m0 -51.92 -53.59 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -48.36 -70.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -50.67 -49.37 57.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -49.38 -29.41 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.23 39.05 1.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 m95 53.29 57.08 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -135.14 -178.8 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.9 p -128.05 -53.79 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.84 -73.29 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' C ' ' HG2' ' A' ' 95' ' ' LYS . 22.0 t70 -88.09 56.27 3.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER 44.93 31.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -81.46 160.44 64.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.81 42.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.812 . . . . 0.0 111.014 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.72 153.41 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HD2' HG13 ' A' ' 153' ' ' VAL . 29.6 ttpp -79.2 130.58 35.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.96 40.23 19.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.95 -30.79 50.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.72 -54.35 47.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.437 HD11 ' NH1' ' A' ' 46' ' ' ARG . 16.8 mt -70.9 -40.55 72.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.471 ' CE3' HD11 ' A' ' 82' ' ' ILE . 21.4 m95 -59.41 -52.07 67.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 107.956 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -52.2 -51.57 57.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 4.5 ttp180 -54.31 -34.78 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.62 -70.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.35 -46.59 47.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.77 96.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 106' ' ' ARG . . . -65.48 -43.86 88.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.43 -28.97 67.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.37 4.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -148.02 -52.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.497 ' NE2' HD22 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -113.91 176.66 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 -171.12 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -81.15 105.5 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.455 HG21 ' NE1' ' A' ' 118' ' ' TRP . 45.3 mm -81.78 134.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.515 ' CE ' HD12 ' A' ' 66' ' ' ILE . 23.7 ttpt -128.78 95.76 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.629 ' CE3' ' CH2' ' A' ' 120' ' ' TRP . 97.7 m95 -78.33 119.53 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 108.008 -175.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -117.62 85.91 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.353 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.629 ' CH2' ' CE3' ' A' ' 118' ' ' TRP . 1.8 m95 -83.74 142.51 30.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 107.984 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 123' ' ' GLY . 0.8 OUTLIER -119.79 166.6 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 174.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 124' ' ' HIS . 55.5 mmtt -79.26 32.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 121' ' ' VAL . . . -57.96 85.63 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 -161.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 122' ' ' LYS . 5.5 p-80 -106.79 -34.86 7.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.563 167.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.51 -116.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 161.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.24 136.29 2.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -83.94 169.56 16.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.636 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.49 9.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.82 -64.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -48.61 -33.9 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.25 -56.34 23.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.251 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -56.99 -31.4 65.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 25' ' ' ILE . 34.0 m -67.73 -49.87 60.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.261 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -51.46 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.99 -44.04 97.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 10' ' ' ASP . . . -57.21 -56.18 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -58.71 -35.56 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.69 83.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.05 -35.75 36.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.17 56.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 91.4 mmm -95.51 35.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -158.1 71.22 4.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 39.5 p -148.98 56.19 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.706 HD13 ' HB1' ' A' ' 37' ' ' ALA . 1.5 mt -159.87 143.98 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -80.01 146.44 32.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.75 167.18 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.5 m -89.19 -75.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -149.8 38.23 0.93 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -54.92 107.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.985 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -156.01 163.2 40.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 99' ' ' LYS . 58.7 t -147.53 66.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.58 -53.92 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.986 -1.483 . . . . 0.0 109.342 179.963 . . . . . . . . 0 0 . 1 stop_ save_