data_1wf9_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 1wf9 _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 ' 8' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 1.6 ttp -127.82 138.07 52.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 17.6 mt -123.12 156.22 35.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' SD ' ' A' ' 88' ' ' MET . 15.7 mtt180 -107.19 106.81 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.2 m -96.99 147.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -117.97 123.92 46.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.66 173.78 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.32 -27.14 63.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -78.25 -29.25 48.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.35 169.25 19.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.36 125.05 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' VAL . 24.3 mt-10 -122.05 167.92 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 21' ' ' VAL . 2.1 ptp85 -131.39 148.44 52.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CG2' HG13 ' A' ' 37' ' ' ILE . 98.4 t -136.01 149.16 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 21' ' ' VAL . 5.9 t -96.14 133.49 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.14 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.13 -50.77 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.61 -161.47 34.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.95 -24.57 12.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CD2' HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.63 -17.79 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.626 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -87.82 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -108.48 166.88 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 70.7 t -48.45 -37.74 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -56.26 -44.47 79.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.93 -32.99 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.5 tp -63.67 -69.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' CE ' ' CD2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -41.68 -46.54 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -53.91 -44.69 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.1 mt -59.14 -52.6 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.502 ' CG2' ' OE1' ' A' ' 48' ' ' GLN . 1.4 mp -67.46 -22.48 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.06 -27.9 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -95.14 -14.45 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' NE2' HG11 ' A' ' 21' ' ' VAL . 67.6 mt-30 -103.2 -60.79 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CG ' HG21 ' A' ' 37' ' ' ILE . 20.9 mt -77.62 -6.29 53.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 55.1 mm-40 57.22 31.95 20.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.503 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 89.3 mt -102.94 143.43 26.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.571 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -75.05 144.43 30.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.43 -30.27 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 10.6 p-80 -70.37 -6.57 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 38.4 m-20 -117.98 -41.2 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 37' ' ' ILE . 36.2 mt-30 -46.37 135.35 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.3 m -135.18 101.92 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' CE ' ' A' ' 34' ' ' LYS . 2.0 mm? -85.61 142.27 29.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 7.9 t -163.39 134.94 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.9 p -90.71 31.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.54 137.84 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -71.45 -10.32 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -66.05 -12.93 58.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.533 HD13 ' CD2' ' A' ' 68' ' ' PHE . 17.8 tp -67.81 -31.84 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.33 -5.93 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.5 -42.21 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -52.81 121.52 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -110.65 -28.88 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.86 175.02 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.1 Cg_endo -75.02 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.472 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -56.64 -39.38 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 2.4 t0 -55.45 -48.56 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.52 -28.73 69.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 56.6 mt -66.77 -11.07 53.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.45 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.533 ' CD2' HD13 ' A' ' 56' ' ' LEU . 61.5 m-85 -96.23 100.08 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -124.27 53.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.89 -35.09 8.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.453 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 69.6 mtp -124.1 45.51 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.07 -36.75 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 34.4 t70 -65.56 124.21 86.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.2 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.8 -7.13 47.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -75.68 143.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -101.39 147.64 26.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 19.6 pt -60.84 -24.08 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -20.63 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 t -59.31 -34.5 72.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -105.31 -17.51 14.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.47 75.05 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 1.3 mm? -99.75 118.06 35.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -110.79 170.69 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -60.7 84.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 150.5 -34.91 0.96 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLY . 15.5 m -41.59 163.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 11' ' ' ARG . 7.7 tpp -117.4 151.31 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' ARG . 55.2 t -149.45 163.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.0 m-85 -125.19 124.85 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 41' ' ' LEU . 14.3 tp -98.52 155.22 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 91' ' ' LEU . . . -157.51 120.26 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' A' ' 43' ' ' ILE . 37.3 p90 -133.1 156.38 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.72 147.82 23.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.99 -119.57 8.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.98 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -163.71 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 29.6 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -117.5 149.79 40.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.76 149.98 52.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.85 101.68 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLU . 2.6 m -90.94 155.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.99 124.1 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 p -120.85 162.58 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -49.84 -41.3 44.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -61.47 -44.44 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.11 -129.56 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 2.0 tp -123.81 131.48 53.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' VAL . 27.6 mt-10 -123.39 159.81 28.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 148.99 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 37' ' ' ILE . 36.2 t -142.96 155.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -99.05 134.41 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.61 -166.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . -176.1 -162.55 27.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.01 -24.65 12.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.04 -18.16 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -89.08 151.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -104.03 170.84 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 53.7 t -52.06 -39.27 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -43.09 71.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -72.08 -33.09 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.9 tt -65.78 -73.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLN . 1.6 mttt -39.94 -43.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -55.44 -48.3 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.4 mt -57.96 -59.23 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' CG ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -59.86 -29.26 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -69.78 -23.74 63.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.72 -35.28 12.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' NE2' HG11 ' A' ' 21' ' ' VAL . 59.6 mt-30 -83.2 -59.66 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CG ' HG22 ' A' ' 37' ' ' ILE . 15.3 mt -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 55.5 58.97 4.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.503 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 37.6 mt -135.35 141.89 39.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.1 Cg_endo -74.99 125.85 9.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -49.66 -56.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.68 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ILE . 31.8 m-20 -93.88 -41.44 9.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 11.6 mt-30 -55.03 138.21 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 92' ' ' ALA . 98.0 m -135.57 98.82 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 71' ' ' MET . 15.6 mt -85.47 142.0 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.9 t -162.47 141.69 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 81' ' ' LEU . 2.0 p -89.7 35.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.86 126.0 15.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.68 -15.73 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -64.24 -14.58 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 68' ' ' PHE . 23.2 tp -65.43 -32.73 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.66 -7.5 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.08 -42.49 12.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.23 118.77 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.58 -26.41 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -95.33 175.28 2.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.05 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -58.76 -34.54 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.76 -45.41 92.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -66.4 -19.37 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -76.64 -17.07 59.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.99 69.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 70.9 m-85 -90.73 91.76 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.2 p -115.67 59.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -39.38 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.46 ' HE3' ' CD1' ' A' ' 50' ' ' LEU . 83.3 mtp -127.48 33.87 4.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.1 -34.48 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.0 t70 -68.67 122.89 86.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -18.61 18.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -90.26 -1.94 57.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.426 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -83.13 136.26 34.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -94.55 152.45 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.464 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 2.4 pt -65.39 -20.01 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -66.88 -13.79 62.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -65.9 -32.31 73.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -107.57 -16.42 14.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.2 t30 71.75 61.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 2.0 mm? -87.44 107.06 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.54 171.3 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.29 108.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.578 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.03 -10.26 13.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -57.48 173.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 5.7 tpt -113.1 145.34 41.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' MET . 33.9 t -151.8 155.0 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.0 130.77 53.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.49 155.21 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -151.39 126.59 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.6 p90 -145.49 147.65 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.3 pt-20 -90.99 135.18 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.24 176.06 37.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.102 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.86 -172.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -88.26 165.13 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.2 ttp -127.45 133.29 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.16 156.06 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -103.86 121.27 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.9 t -107.94 95.44 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -83.51 128.71 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 86.7 p -109.37 176.73 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 9.4 mtp-105 -34.64 -59.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -140.51 37.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.15 109.5 0.5 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -100.19 97.37 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.97 167.03 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.14 153.44 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -137.52 145.29 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -98.62 133.32 43.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.038 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -122.56 -165.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 55.5 m-20 -105.27 -37.33 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 155.33 -157.16 27.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.51 11.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -55.1 -18.24 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 1.1 pp -88.99 151.68 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -107.54 171.77 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 54.3 t -52.66 -38.49 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -55.4 -45.99 76.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -72.27 -30.43 64.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.9 tt -68.65 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -48.65 -51.3 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -48.73 -45.8 40.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.48 -70.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.492 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 4.6 mt -51.62 -33.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -61.65 -29.49 70.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 2.6 t70 -92.09 -57.83 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -53.53 -58.15 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' A' ' 91' ' ' LEU . 8.5 mt -76.86 -12.26 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.8 mm-40 59.42 54.73 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.533 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 42.3 mt -128.42 142.07 43.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 132.99 16.07 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.5 mt -48.86 -58.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.26 -28.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 16.2 m-20 -93.93 -46.21 7.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 17.7 mt-30 -53.44 132.38 39.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 92' ' ' ALA . 42.9 m -135.04 100.44 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -86.01 143.36 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -162.37 144.62 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 p -90.88 22.58 3.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -126.87 112.44 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.48 -19.52 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 14.6 m-80 -61.1 -16.72 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 68' ' ' PHE . 25.2 tp -59.3 -46.43 88.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 14' ' ' SER . 11.1 mp -53.52 -23.05 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -72.89 -49.28 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -41.22 122.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -110.02 -29.68 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.94 172.98 4.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 50.9 p -61.85 -33.21 73.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -60.26 -45.21 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 14.7 m-85 -65.05 -22.95 67.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 77.9 mt -71.27 -17.03 62.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.32 63.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 56' ' ' LEU . 76.5 m-85 -102.82 99.81 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -126.34 65.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -28.1 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 78.3 mtp -133.2 32.18 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.64 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 44.6 t0 -63.96 123.12 80.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.35 6.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 73' ' ' ASP . 15.9 p30 -84.72 7.23 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -92.81 139.78 30.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -94.26 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.412 ' CG2' HD13 ' A' ' 33' ' ' LEU . 16.6 pt -69.93 -23.15 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.8 p -54.77 -26.09 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.8 t -55.63 -28.79 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -110.41 -13.06 14.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 66.21 70.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.1 mt -104.85 108.63 20.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.23 171.26 8.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.1 t60 -43.03 123.26 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.71 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -48.29 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.3 tpt -123.72 146.04 48.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 88' ' ' MET . 10.2 t -152.08 144.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 77.5 m-85 -112.67 159.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 13.0 tp -131.19 157.34 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -154.14 120.09 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 5.4 p90 -130.47 162.64 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -103.63 136.04 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 80.65 -120.52 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.07 -175.3 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -85.32 169.15 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -107.07 131.9 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.94 123.57 49.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 102.46 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.539 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 10.6 m -94.73 155.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.585 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -121.12 124.91 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.4 ' OG ' ' OE2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -120.21 153.07 36.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -53.67 -29.04 36.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.4 -24.13 46.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.22 -176.27 32.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.01 129.28 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE2' ' OG ' ' A' ' 14' ' ' SER . 2.9 mt-10 -125.19 151.94 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -119.96 141.22 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 37' ' ' ILE . 92.3 t -135.96 146.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -96.5 137.4 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.13 -166.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 83.1 m-20 -105.25 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.43 -159.11 29.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.87 12.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.17 -18.2 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 HG21 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -93.58 162.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.3 p -113.95 178.46 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 42.4 t -58.69 -37.56 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.5 p -55.1 -45.93 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -72.81 -30.35 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.9 tt -68.9 -58.77 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' CE ' HD22 ' A' ' 50' ' ' LEU . 67.8 mttt -52.81 -47.72 67.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -51.97 -40.63 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.73 -66.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.529 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.7 mp -55.25 -29.65 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.42 -30.54 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.5 -41.39 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.64 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 91' ' ' LEU . 13.4 mt -76.56 -10.2 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 40.5 mm-40 60.11 52.54 5.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 45.0 mt -126.61 141.31 39.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.96 130.25 13.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.18 -33.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -64.59 -11.03 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.423 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 39.6 m-20 -115.98 -42.96 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 19.3 mt-30 -49.79 139.39 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.5 m -134.53 108.41 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD22 ' CE ' ' A' ' 34' ' ' LYS . 2.0 mm? -94.06 140.78 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 14.4 t -161.62 162.72 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.7 p -113.32 33.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.01 140.91 40.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.547 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -72.39 -16.74 61.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -12.16 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 68' ' ' PHE . 15.8 tp -56.4 -49.82 73.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 4.9 mp -66.31 -11.5 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.94 -26.88 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -71.18 120.71 17.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -111.32 -29.37 7.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 166.08 23.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.85 3.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 41.4 m -73.17 -28.51 62.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.417 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.26 -44.25 92.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 28.0 m-85 -64.99 -18.42 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 60.1 mt -75.63 -3.46 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.43 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 56' ' ' LEU . 39.6 m-85 -90.49 93.39 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.6 p -112.61 44.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -49.07 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -113.39 35.95 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.85 -31.01 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -77.47 121.43 84.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -20.12 17.2 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -92.88 8.41 39.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD21 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -90.35 141.04 29.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.27 151.34 19.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 pt -71.51 -16.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 t -63.73 -19.74 65.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 t -64.85 -36.26 83.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD1' HD22 ' A' ' 83' ' ' LEU . 2.8 mt -91.87 -26.23 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 27.3 t30 80.08 43.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.06 138.67 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.29 168.84 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.36 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.17 -17.04 3.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m -52.31 171.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -121.52 144.53 48.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.539 ' CG1' ' CG1' ' A' ' 12' ' ' VAL . 9.7 p -150.91 161.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 97.9 m-85 -125.9 131.3 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 41' ' ' LEU . 8.5 tp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -144.81 124.14 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.5 p90 -140.43 165.49 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -101.56 137.03 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.85 178.66 8.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.05 -173.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -88.82 -166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 17.0 tmm? -111.64 148.39 33.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' N ' ' SD ' ' A' ' 9' ' ' MET . 9.3 mt -129.23 147.62 51.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -106.23 101.09 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.0 m -90.46 155.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.88 124.11 42.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 p -119.01 151.27 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -39.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.53 -50.02 73.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.13 -129.95 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -128.5 131.67 48.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' VAL . 23.1 mt-10 -124.02 159.7 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 147.79 47.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 37' ' ' ILE . 35.1 t -141.02 155.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' N ' HG11 ' A' ' 21' ' ' VAL . 7.8 t -101.22 131.98 46.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.45 -164.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.98 -62.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.73 -155.01 20.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.41 -17.99 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.57 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -91.47 167.63 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -123.76 165.36 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 76' ' ' LEU . 75.5 t -48.29 -31.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.5 p -60.3 -46.4 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -75.62 -37.5 59.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 8.0 tp -59.74 -55.76 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.29 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 41' ' ' LEU . 1.9 mp -52.73 -36.57 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.05 -31.95 67.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 6.7 t70 -89.24 -59.62 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CD ' HG12 ' A' ' 21' ' ' VAL . 23.1 mt-30 -52.06 -56.25 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' ' 37' ' ' ILE . 13.5 mt -77.97 -10.63 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 56.4 mm-40 57.75 52.56 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -126.92 142.07 42.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.6 mt -47.24 -58.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -93.58 -43.43 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 16.5 mt-30 -56.1 133.87 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ALA . 1.3 m -134.76 99.1 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' CE ' ' A' ' 71' ' ' MET . 9.1 mt -86.03 136.85 33.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -161.77 150.75 15.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 81' ' ' LEU . 2.9 p -94.12 33.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -129.45 134.77 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -10.45 59.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.9 -12.8 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 68' ' ' PHE . 12.8 tp -57.91 -42.53 84.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 57' ' ' LEU . 9.1 mp -59.93 -30.21 68.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -65.68 -50.26 65.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -44.67 121.33 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.74 -28.76 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.45 170.27 7.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.63 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.559 1.82 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -62.45 -31.97 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.06 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -63.1 -48.06 80.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 92' ' ' ALA . 29.2 m-85 -62.56 -24.27 67.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 71.8 mt -67.93 -11.0 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.23 -29.14 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 56' ' ' LEU . 39.4 m-85 -100.11 104.5 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 p -126.19 50.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -96.32 -32.8 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.455 ' CE ' HD12 ' A' ' 50' ' ' LEU . 7.3 mmm -123.17 31.78 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.27 -35.7 30.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.58 119.12 60.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.21 18.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -92.06 0.85 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.79 144.06 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -100.29 150.36 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 pt -64.56 -19.6 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -31.41 69.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -49.92 -36.28 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG2' ' A' ' 52' ' ' THR . 0.4 OUTLIER -100.04 -18.96 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 76.04 48.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.8 mt -78.92 118.95 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.85 168.78 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -51.35 107.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.66 -30.26 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -45.16 167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.528 ' CE ' ' CD1' ' A' ' 18' ' ' LEU . 5.5 tpt -112.83 145.7 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' MET . 56.4 t -148.9 157.26 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.2 m-85 -125.26 130.23 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 92' ' ' ALA . 17.7 tp -105.24 157.95 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . . . -153.24 120.1 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -140.67 149.75 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.2 tt0 -96.94 136.51 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 70.72 162.49 4.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -84.29 167.21 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.561 0.22 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -111.33 130.58 55.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -110.52 133.98 52.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -93.08 100.37 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 62.8 t -96.33 149.85 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.584 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.45 134.19 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -121.43 -174.72 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -93.58 27.02 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.19 27.9 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.77 174.85 19.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 129.5 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -113.05 147.69 36.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -109.48 146.57 34.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CG2' HG13 ' A' ' 37' ' ' ILE . 60.3 t -139.72 157.68 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 21' ' ' VAL . 7.2 t -106.26 130.32 54.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.57 -164.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -115.28 -45.86 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 165.08 -161.12 34.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.49 -18.49 7.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -88.11 151.4 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.5 p -107.38 167.3 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -47.47 -39.0 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -42.83 80.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -75.32 -34.21 61.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.6 -56.84 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' THR . 33.1 mttt -53.47 -65.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.4 m -37.16 -48.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.3 mt -52.77 -53.52 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.48 HG13 ' CG2' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -67.3 -50.96 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -45.36 -27.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t70 -93.19 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.402 ' NE2' HG11 ' A' ' 21' ' ' VAL . 42.4 mt-30 -53.21 -56.07 19.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 37' ' ' ILE . 13.7 mt -76.09 -17.07 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 59.0 mm-40 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -135.53 142.84 42.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.571 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.3 mt -50.06 -43.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -49.07 -22.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ILE . 37.6 m-20 -104.26 -35.86 7.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 12.9 mt-30 -61.78 139.42 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -135.43 102.6 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 91' ' ' LEU . 5.7 mt -85.51 141.0 30.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -159.65 171.6 19.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -118.83 35.11 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.65 117.44 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.19 -20.4 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 49.4 m-80 -63.05 -13.84 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 68' ' ' PHE . 40.8 tp -64.05 -29.81 70.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 29.4 mt -73.48 -12.78 60.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.3 -43.9 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -51.04 120.45 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -110.71 -29.92 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.0 171.4 7.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.56 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 5.0 t -61.23 -28.41 69.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -66.26 -46.77 75.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 79.1 mt -71.46 -11.04 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.42 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 36.3 m-85 -102.85 101.7 11.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -128.37 61.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -40.3 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.8 mtp -112.76 24.38 12.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.17 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -78.23 119.49 77.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.37 11.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -84.51 3.48 36.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 139.94 30.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -99.27 147.34 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -61.69 -15.0 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.2 p -67.98 -30.04 69.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -61.16 -31.44 71.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -8.0 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.85 71.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.3 mt -112.23 125.65 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.28 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -52.82 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.42 -14.28 4.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 88' ' ' MET . 6.4 t -62.72 174.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -126.07 145.81 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.514 ' CG1' ' CG2' ' A' ' 12' ' ' VAL . 10.3 p -151.94 157.48 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.6 m-85 -124.7 134.14 52.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 50' ' ' LEU . 22.5 tp -106.56 158.8 16.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -154.7 119.97 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.4 p90 -142.84 150.43 39.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -95.62 135.74 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.8 176.94 46.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.17 -172.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -86.16 176.12 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.4 ttp -121.71 136.52 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' ' HG2' ' A' ' 9' ' ' MET . 21.5 mt -120.44 156.4 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -96.87 120.22 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.52 105.51 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HB2' ' CE ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -79.47 123.67 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -127.46 169.9 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -49.32 -54.74 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.26 -41.56 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.96 -114.07 0.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -129.13 103.91 7.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -101.92 155.71 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 156.68 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 22' ' ' SER . 39.6 t -142.19 146.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.411 ' N ' HG11 ' A' ' 21' ' ' VAL . 7.9 t -96.35 132.83 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -119.46 -168.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.28 -47.03 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.1 -170.23 42.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.06 -25.12 12.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -52.43 -20.64 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.549 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.4 pp -85.31 155.87 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.0 p -101.28 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.9 t -53.04 -47.08 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 p -47.63 -49.02 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.24 -28.92 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 37' ' ' ILE . 4.9 tp -71.66 -54.51 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HE2' ' CD2' ' A' ' 50' ' ' LEU . 2.2 mtpm? -48.68 -61.07 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 m -41.45 -54.65 3.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt -45.43 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 33' ' ' LEU . 6.4 mt -52.38 -44.78 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -54.31 -30.56 51.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t0 -87.73 -65.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -48.69 -55.34 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 91' ' ' LEU . 5.4 mt -75.73 -17.89 59.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 77.5 mm-40 64.52 40.51 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.541 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 59.7 mt -113.61 142.48 27.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 131.19 13.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.448 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -46.76 -60.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -39.79 -29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.4 m-20 -92.65 -47.06 7.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 16.1 mt-30 -51.3 136.38 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.4 m -135.09 104.93 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' CD2' ' HE2' ' A' ' 34' ' ' LYS . 1.9 mm? -87.08 133.05 33.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' CB ' HD12 ' A' ' 56' ' ' LEU . 5.8 t -163.34 141.22 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.4 p -91.38 34.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -138.56 145.94 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 4.3 ptm180 -76.62 -25.9 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -51.02 -22.85 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -54.15 -39.56 66.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.42 -22.43 62.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.45 -35.22 47.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -58.48 116.05 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -110.98 -25.9 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.11 162.06 33.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.07 12.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.409 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.0 -31.34 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -62.01 -46.95 86.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 11.0 m-85 -56.87 -25.72 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 42.9 mt -69.45 -9.68 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.04 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 64.6 m-85 -93.52 95.8 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -118.9 46.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.41 -47.01 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.444 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 83.4 mtp -114.72 45.48 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.28 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -65.58 120.33 67.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.9 16.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -90.52 6.23 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 138.68 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -94.15 142.1 27.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 13.4 pt -57.33 -25.2 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t -57.02 -31.11 64.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -52.89 -43.19 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mt -89.91 -15.27 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.92 74.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.6 mt -107.82 119.17 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.3 165.36 17.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.8 t-160 -48.12 107.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.5 -35.97 2.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -44.85 169.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 13.9 tpt -120.78 147.43 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 88' ' ' MET . 98.0 t -153.74 154.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' A' ' 54' ' ' ARG . 80.3 m-85 -115.59 157.68 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 41' ' ' LEU . 52.2 tp -139.94 120.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.498 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -122.12 120.33 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 4.4 p90 -131.98 169.4 16.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.6 tt0 -105.65 137.71 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.0 148.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.1 pt-20 -49.62 179.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -76.98 162.74 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 10.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -111.34 132.14 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 130.73 55.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.1 ttt180 -81.78 127.6 33.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -122.37 106.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.6 OUTLIER -80.84 135.21 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 59.3 p -129.77 162.64 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -14.04 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -93.57 -13.06 28.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' ' OG ' ' A' ' 14' ' ' SER . . . 140.77 157.02 7.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -72.18 132.63 44.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 69.4 mt-10 -134.32 170.61 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.5 143.19 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 37' ' ' ILE . 48.6 t -131.25 145.27 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.427 ' N ' HG11 ' A' ' 21' ' ' VAL . 2.7 t -85.16 155.41 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.73 -164.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 94.4 m-20 -122.75 -45.19 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.79 -163.57 35.87 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.09 13.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.62 -18.07 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.566 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -87.17 148.79 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -105.66 172.68 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.6 t -52.6 -37.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -56.53 -44.65 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -74.76 -32.15 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.576 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -66.05 -61.3 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' CE ' HD23 ' A' ' 50' ' ' LEU . 69.1 mttt -49.49 -51.15 38.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -49.25 -47.18 46.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.53 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.576 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 3.8 mp -53.13 -36.21 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -63.62 -29.82 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.354 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -92.07 -53.84 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -56.79 -59.45 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.8 -9.51 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.7 mm-40 58.14 54.71 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.537 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 51.9 mt -127.45 142.4 43.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.1 Cg_endo -75.08 128.06 11.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.2 mt -48.23 -57.32 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -40.45 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.5 m-20 -94.2 -45.82 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.5 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 14.0 mt-30 -49.58 141.94 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 39.1 m -134.54 105.21 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD23 ' CE ' ' A' ' 34' ' ' LYS . 1.8 mm? -89.58 129.1 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -162.8 136.24 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 p -89.14 34.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.523 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 17.8 t-20 -128.69 113.48 15.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -54.79 -18.5 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.9 m-20 -65.38 -11.35 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.555 HD12 ' CD2' ' A' ' 68' ' ' PHE . 13.6 tp -60.52 -47.7 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 57' ' ' LEU . 10.2 mp -55.4 -29.25 58.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 -48.98 63.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -44.82 119.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -22.7 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.465 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -106.36 176.1 1.81 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.97 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -49.31 -37.23 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 1.4 t0 -59.97 -54.23 48.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 92' ' ' ALA . 23.2 m-85 -61.8 -22.59 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 75.9 mt -70.81 -7.98 49.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.7 31.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CD2' HD12 ' A' ' 56' ' ' LEU . 80.7 m-85 -99.9 119.27 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 p -149.16 49.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.12 -33.44 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 55.2 mtp -121.03 47.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.24 -34.34 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.07 120.11 77.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -18.57 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.83 -3.37 57.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.52 146.32 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.4 pt -57.6 -27.44 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 p -52.13 -31.51 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 t -55.0 -41.08 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 1.6 mt -93.13 -25.21 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 44.9 t30 79.61 57.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.23 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -111.95 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -60.0 116.62 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.58 -20.44 27.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 41.5 m -52.38 161.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.968 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.9 tpt -108.26 144.82 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 88' ' ' MET . 46.2 t -153.64 153.1 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 93.5 m-85 -122.5 140.63 52.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.34 153.82 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . . . -153.35 124.49 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.9 p90 -142.01 173.08 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.4 pt-20 -113.87 146.24 40.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.22 171.01 7.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 179.07 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mtt180 -81.07 173.56 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 14.3 tmm? -104.73 147.93 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' N ' ' SD ' ' A' ' 9' ' ' MET . 12.7 mt -128.54 149.29 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -106.74 100.02 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 2.6 m -90.83 139.64 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.591 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -107.67 122.01 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.4 p -124.98 171.72 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 5.9 ptp180 -64.9 -36.57 84.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.96 -11.09 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.51 175.88 14.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -71.68 134.27 46.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' VAL . 21.1 mt-10 -129.6 155.12 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.05 156.85 28.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 HG21 ' CG1' ' A' ' 37' ' ' ILE . 60.9 t -153.92 145.39 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.5 t -95.92 133.66 39.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.4 -166.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.26 -58.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 173.58 -157.28 25.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.48 10.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.475 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -54.49 -18.73 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.462 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -89.37 164.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -120.52 169.99 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -50.32 -39.42 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 p -52.79 -46.05 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -71.96 -36.44 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 37' ' ' ILE . 4.9 tp -63.06 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 72' ' ' ALA . 64.8 mttt -45.53 -49.13 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -50.76 -47.31 59.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.34 -67.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG21 ' CD1' ' A' ' 41' ' ' LEU . 3.9 mt -53.34 -35.6 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.08 -28.77 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.5 t70 -91.76 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -51.34 -56.74 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD13 ' CD2' ' A' ' 91' ' ' LEU . 8.4 mt -77.38 -13.94 59.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 69.3 mm-40 60.81 52.01 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.534 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 48.7 mt -125.4 142.09 40.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.1 Cg_endo -75.09 134.54 17.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASN . 3.8 mt -51.69 -51.37 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -48.55 -22.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.433 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 25.3 m-20 -100.01 -45.69 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.1 mt-30 -55.34 132.36 47.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 4.9 m -135.12 103.59 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.79 142.63 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 t -162.25 143.41 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.4 p -89.56 36.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -145.83 127.08 14.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.1 ptt85 -57.48 -23.37 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -50.19 -24.28 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -50.56 -48.35 57.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.13 -23.5 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.74 -36.29 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -64.8 119.49 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.28 -27.18 8.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -94.39 174.63 3.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.99 -49.84 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.478 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 1.6 t0 -56.66 -51.83 67.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -59.47 -21.61 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 38.1 mt -77.61 -7.59 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.24 -26.8 52.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.74 107.61 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.8 p -133.32 44.13 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -100.54 -37.81 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.9 mtp -116.75 26.67 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 34' ' ' LYS . . . -86.08 -39.11 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 30.4 t70 -59.24 120.85 51.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -17.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -92.68 1.59 57.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -85.85 144.7 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.84 157.58 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 4.6 pt -73.15 -33.98 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -57.13 -18.45 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -57.81 -31.18 66.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -105.1 -22.57 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 1.6 t30 81.86 56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' ILE . 1.7 mm? -86.07 108.72 18.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -100.82 172.96 6.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.8 97.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.74 -22.39 4.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 74.7 m -43.95 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.8 tpt -109.08 145.22 36.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' ARG . 92.9 t -153.66 157.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.3 137.3 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 41' ' ' LEU . 19.2 tp -117.34 115.32 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -114.09 119.8 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' CD2' HD13 ' A' ' 43' ' ' ILE . 16.9 p90 -138.29 159.52 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.6 pt-20 -91.99 145.8 24.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.04 165.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.65 -179.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -75.2 157.79 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -120.85 143.9 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 mt -132.11 155.86 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -103.2 116.56 32.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.7 t -103.88 108.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -96.72 133.78 40.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 17' ' ' GLY . 56.9 p -107.03 176.73 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.45 -45.97 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.97 36.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 14' ' ' SER . . . -151.28 112.28 0.53 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -94.13 126.57 39.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' VAL . 3.9 mt-10 -139.52 167.96 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.52 148.88 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 37' ' ' ILE . 57.4 t -137.04 145.7 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.9 t -95.81 132.55 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.55 -166.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.21 -60.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 179.79 -163.7 31.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -24.16 13.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.64 -18.32 7.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -89.42 155.64 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.2 p -103.07 163.5 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.85 -44.24 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 74' ' ' PRO . 12.5 p -49.5 -49.5 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.9 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.76 -57.34 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLN . 1.4 mtpm? -49.34 -49.57 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 m -49.66 -46.17 49.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.19 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 21' ' ' VAL . 2.6 mt -51.9 -34.49 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.35 -30.77 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 15.6 t0 -91.96 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -47.48 -57.2 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -77.65 -17.23 57.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.0 mm-40 65.07 55.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.543 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 21.6 mt -130.04 142.43 45.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 134.81 18.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 48' ' ' GLN . 3.1 mt -50.79 -55.9 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -44.32 -25.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.58 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ILE . 19.8 m-20 -96.85 -46.13 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.5 mt-30 -55.09 133.22 48.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' ALA . 16.2 m -135.42 100.47 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -162.58 140.63 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' HD11 ' A' ' 81' ' ' LEU . 4.6 p -90.13 32.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.75 113.61 9.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.26 -19.89 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 78.9 m-20 -61.8 -18.59 60.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.564 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 26.1 tp -60.28 -37.93 82.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.495 HD13 ' CE1' ' A' ' 90' ' ' TYR . 26.5 mt -63.03 -17.34 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.29 -47.75 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.04 118.43 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.63 -28.24 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -96.3 174.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.08 -48.3 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 79.6 p -55.7 -38.25 69.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.91 -46.79 84.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.14 -20.91 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 45.3 mt -76.82 -13.01 60.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.66 69.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 79.8 m-85 -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.2 p -126.78 50.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.51 -30.29 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 73.5 mtp -128.8 26.0 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.58 13.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.4 t70 -54.96 120.64 30.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' SER . 18.3 Cg_endo -75.0 -21.22 16.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.97 -3.77 59.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -85.65 141.17 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.82 144.52 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 17.7 pt -54.18 -31.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -25.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -56.65 -29.59 62.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD11 ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -111.12 -14.21 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.42 73.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -97.01 112.41 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.2 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.96 102.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.64 -24.7 4.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.9 t -48.69 172.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 6.7 tpt -116.09 145.67 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' N ' ' HG3' ' A' ' 88' ' ' MET . 45.3 t -150.2 148.19 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 83.2 m-85 -117.61 159.5 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 65.7 tp -126.49 161.92 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -161.12 119.26 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.3 p90 -136.38 158.05 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.46 146.52 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.55 -119.93 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -175.15 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -81.38 168.12 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.411 ' H ' ' CE1' ' A' ' 85' ' ' HIS . 19.2 tmm? -109.42 140.55 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -125.29 145.85 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -104.42 102.52 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.532 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 10.7 m -95.59 155.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -119.41 124.29 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLY . 19.5 p -114.47 153.92 29.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.28 -22.09 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -34.07 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 168.75 -124.4 1.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -131.07 128.57 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -125.53 152.45 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.93 153.47 41.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.64 147.91 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -93.88 132.71 38.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.89 -165.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.59 -62.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.01 -157.88 26.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -74.96 -24.81 12.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.68 -18.46 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.23 162.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.9 p -116.0 165.81 12.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 77.4 t -45.96 -38.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -54.24 -53.78 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.1 -37.66 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 37' ' ' ILE . 7.0 tp -58.72 -54.98 41.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.565 ' CG ' HD23 ' A' ' 50' ' ' LEU . 26.1 mttt -53.31 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 34' ' ' LYS . 6.8 m -33.41 -47.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.27 -59.55 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -63.45 -44.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -52.04 -27.71 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.43 -63.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -52.15 -51.83 55.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 37' ' ' ILE . 12.3 mt -76.14 -24.61 54.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 68.81 45.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 66.5 mt -124.51 142.32 40.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.99 125.82 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.759 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 34' ' ' LYS . 9.5 mt -51.05 -44.02 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -47.91 -23.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.171 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ILE . 40.0 m-20 -102.25 -41.5 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 11.2 mt-30 -53.48 141.37 25.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -134.85 112.9 11.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.565 HD23 ' CG ' ' A' ' 34' ' ' LYS . 3.3 mm? -90.0 128.91 36.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -162.19 140.02 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 p -89.6 36.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -136.76 146.85 46.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 3.2 ptm180 -79.87 -22.41 42.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.66 -25.06 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -49.08 -48.52 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 57' ' ' LEU . 10.1 mp -57.56 -30.3 65.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -46.2 63.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -47.72 116.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -110.97 -24.44 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -103.27 176.92 1.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.0 -41.95 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 1.6 t0 -57.49 -52.9 63.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 18.6 m-85 -61.7 -22.36 65.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 37.1 mt -74.35 -13.54 60.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.4 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -90.29 104.85 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.7 p -131.11 57.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.2 -29.06 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 39.7 mmm -119.37 26.09 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.26 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -62.13 119.69 51.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.74 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -94.76 0.44 54.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.427 HD21 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -82.31 134.04 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.96 153.46 21.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.7 pt -69.15 -21.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.3 p -60.82 -17.87 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -65.21 -28.88 69.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 3.74 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 50.16 65.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.11 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.88 175.53 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.411 ' CE1' ' H ' ' A' ' 9' ' ' MET . 3.4 t-160 -67.54 102.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.543 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . . . 124.83 -16.68 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 11.1 t -48.65 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 110.028 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -121.0 144.27 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.532 ' CG1' ' CG1' ' A' ' 12' ' ' VAL . 12.2 p -153.59 159.77 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 95.1 m-85 -123.24 135.87 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -117.2 116.21 26.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.494 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -114.25 120.07 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -140.28 162.26 35.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 1.4 tt0 -102.85 137.93 40.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 74.86 163.17 10.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -177.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.84 158.4 20.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.7 ttp -115.91 125.33 52.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.34 145.7 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -102.89 101.06 11.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.39 155.35 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.36 123.18 40.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.6 p -122.23 167.0 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -56.9 -44.47 82.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.07 -33.16 74.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.27 -175.4 33.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.17 130.91 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.62 151.83 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -104.16 156.67 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 20' ' ' ARG . 94.1 t -157.39 148.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 21' ' ' VAL . 8.0 t -104.08 130.83 51.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.85 -165.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 50.8 m-20 -112.55 -42.17 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 159.61 -163.6 33.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.66 12.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.5 -18.59 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -87.38 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.2 p -109.45 171.54 7.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' A' ' 76' ' ' LEU . 53.5 t -51.12 -38.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.5 p -55.19 -46.41 75.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -73.39 -35.0 65.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 37' ' ' ILE . 5.4 tp -62.61 -52.83 61.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.1 mttt -51.05 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 39' ' ' ASP . 85.6 m -36.46 -51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 mt -50.46 -70.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 33' ' ' LEU . 12.7 mt -53.19 -36.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.01 -22.36 65.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' THR . 16.3 t0 -93.38 -50.36 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' NE2' HG13 ' A' ' 21' ' ' VAL . 46.6 mt-30 -67.38 -59.62 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 91' ' ' LEU . 5.3 mt -72.44 -12.24 61.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 58.6 mm-40 58.15 45.44 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 19.3 mt -116.23 141.83 28.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.547 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -74.96 133.0 16.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.8 mt -49.1 -53.55 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -46.94 -24.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 22.9 m-20 -98.24 -46.87 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 19.8 mt-30 -52.19 139.88 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 42.5 m -135.18 110.02 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -90.25 131.29 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -162.37 128.76 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 p -89.57 45.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -150.61 123.15 8.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.97 -23.27 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.425 ' OD1' ' CD2' ' A' ' 58' ' ' LEU . 3.1 m-80 -52.89 -27.61 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -51.44 -43.74 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 13.2 mt -68.03 -23.68 65.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.63 -33.17 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.11 124.78 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.34 -28.99 7.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.65 162.06 23.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.26 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -27.37 60.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.55 -45.09 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -54.21 -18.51 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.83 -14.11 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -91.76 94.99 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -119.64 31.38 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.14 -18.01 59.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 81.3 mtp -142.86 44.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.88 -23.83 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.52 124.55 85.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.44 15.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -88.76 0.49 56.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -86.86 145.49 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 53.5 mtt180 -104.43 149.17 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.482 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 25.8 pt -67.96 -9.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.1 p -66.6 -19.71 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -71.6 -23.11 61.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.24 -9.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.59 63.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -97.87 116.33 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.7 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 5.3 t-160 -60.99 103.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.53 -25.78 5.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -55.88 167.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -108.94 144.82 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' ARG . 46.2 t -148.64 156.96 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.8 m-85 -125.44 137.95 54.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' HD13 ' A' ' 41' ' ' LEU . 22.1 tp -119.65 124.37 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . . . -119.25 119.65 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -140.0 158.19 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 3.5 pt-20 -99.01 142.67 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.62 159.55 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 178.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -79.59 159.24 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttp -110.22 133.18 53.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -111.68 163.67 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -107.99 108.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -102.73 112.86 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -88.47 124.47 34.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 p -131.0 164.98 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -41.77 -58.1 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -41.06 -46.9 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.16 -113.64 0.53 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 tp -132.13 106.67 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -100.9 156.6 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.41 155.5 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.425 HG13 ' NE2' ' A' ' 40' ' ' GLN . 51.8 t -147.8 153.94 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -99.66 133.72 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.71 -165.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.8 m-20 -104.65 -62.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 172.59 -155.19 22.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.75 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.79 -17.86 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -95.0 155.96 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -109.23 170.22 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.6 t -50.29 -38.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -48.79 72.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -69.1 -35.33 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 37' ' ' ILE . 4.5 tp -61.53 -53.35 57.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.553 ' CG ' HD21 ' A' ' 50' ' ' LEU . 37.2 mttt -55.34 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.1 m -33.45 -43.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 12.6 mt -59.27 -68.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 33' ' ' LEU . 1.5 mp -56.28 -40.98 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.586 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.37 -37.51 48.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.0 t0 -86.21 -63.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.425 ' NE2' HG13 ' A' ' 21' ' ' VAL . 28.1 mt-30 -45.86 -55.32 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 37' ' ' ILE . 11.4 mt -77.15 -18.94 57.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 74.7 mm-40 65.84 45.8 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.586 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.4 mt -123.04 142.85 39.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -75.03 127.28 10.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.7 mt -50.31 -56.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.65 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 15.8 m-20 -93.19 -43.57 8.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 9.5 mt-30 -51.26 142.81 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 92' ' ' ALA . 15.6 m -134.65 110.16 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.553 HD21 ' CG ' ' A' ' 34' ' ' LYS . 3.0 mm? -90.39 130.71 36.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.49 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 3.8 t -162.71 138.98 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.458 ' CG2' HD11 ' A' ' 81' ' ' LEU . 13.1 p -89.4 35.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.09 146.7 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -24.26 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -53.44 -21.11 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 68' ' ' PHE . 9.5 tp -53.36 -43.17 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -67.84 -21.66 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -78.14 -39.74 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.51 119.7 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -110.7 -27.27 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.1 p -91.48 157.16 42.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.71 21.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 18.6 m -88.0 -34.4 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -59.94 -47.53 85.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.11 -26.6 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 27.2 mt -70.5 -9.27 56.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.1 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 56' ' ' LEU . 63.0 m-85 -99.61 96.68 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -122.54 54.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.04 -30.5 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 46.6 mmm -115.09 22.68 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.55 -44.45 19.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -59.82 119.8 44.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.82 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.31 -3.88 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.9 140.15 36.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.21 156.41 16.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.7 pt -65.33 -22.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -57.43 -21.87 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.6 t -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -106.94 -14.75 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.3 74.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 1.5 mm? -97.5 119.58 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 168.56 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.51 114.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.586 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -14.36 30.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 p -55.1 174.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 11.6 tpt -124.1 147.18 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' MET . 84.7 t -153.8 152.71 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 85.7 m-85 -116.56 157.43 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.2 tp -136.03 128.59 30.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 49' ' ' THR . . . -126.93 123.97 38.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.0 p90 -137.13 158.62 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.32 150.58 25.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.56 -120.82 6.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -172.01 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -86.54 173.18 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 2.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -105.12 132.38 51.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -104.98 143.64 32.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.4 ttt85 -92.47 101.49 13.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.9 t -94.53 106.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.08 130.65 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.56 148.42 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -75.85 -24.51 55.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.87 -178.95 33.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD2' ' HG2' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -92.97 138.64 31.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.21 167.27 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -129.17 147.74 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.489 ' CG2' HG13 ' A' ' 37' ' ' ILE . 72.1 t -137.43 151.42 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.7 t -102.0 132.44 47.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.95 -165.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.413 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 4.0 m-20 -109.25 -48.4 3.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.76 -163.21 36.99 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.17 13.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.57 -18.37 11.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -87.39 147.84 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.3 p -104.35 166.28 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -45.94 -38.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 p -55.09 -48.84 73.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.35 -33.27 72.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.605 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 2.0 tt -64.5 -59.05 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' CG ' HD22 ' A' ' 50' ' ' LEU . 31.1 mttt -47.08 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 m -37.18 -56.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -43.47 -67.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.605 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.4 mp -57.53 -52.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -42.02 -33.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -90.56 -65.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' NE2' HG11 ' A' ' 21' ' ' VAL . 30.1 mt-30 -44.63 -54.72 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' ILE . 8.9 mt -78.11 -22.25 49.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 69.86 55.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.522 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 47.4 mt -132.73 142.94 46.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.97 127.45 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' GLN . 5.0 mt -50.0 -56.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.54 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ILE . 37.3 m-20 -92.99 -43.25 9.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 9.3 mt-30 -52.71 138.17 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' ALA . 99.0 m -135.06 107.94 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 34' ' ' LYS . 2.3 mm? -85.67 141.8 29.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 t -162.69 136.9 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 p -89.25 21.72 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -128.16 136.15 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -15.85 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 58' ' ' LEU . 86.6 m-20 -60.86 -16.95 47.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.524 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -64.61 -13.59 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 35.5 mt -86.08 -34.99 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -58.15 123.7 16.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -111.36 -29.39 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -98.97 172.45 4.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.99 -47.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -53.65 -34.4 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.68 -48.75 75.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 92' ' ' ALA . 14.1 m-85 -62.52 -20.13 64.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 73.8 mt -73.64 -10.61 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -28.39 54.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -100.62 120.34 39.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.9 p -149.53 41.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -38.91 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 mtp -121.44 48.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.81 -32.56 16.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.84 122.32 86.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -17.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.76 -0.42 57.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 141.06 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -92.51 156.67 17.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.4 pt -75.46 -9.89 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 p -68.19 -23.22 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 t -60.93 -28.73 69.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' HD21 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -107.25 -23.44 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.58 54.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -79.43 100.63 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.85 172.55 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.03 110.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.35 -15.85 24.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -49.3 168.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.2 tpt -107.93 143.78 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' N ' ' HG3' ' A' ' 88' ' ' MET . 5.7 t -152.1 142.83 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.492 ' CD1' HD11 ' A' ' 57' ' ' LEU . 65.3 m-85 -115.5 131.96 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.87 140.78 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -138.54 121.03 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.4 p90 -140.15 161.33 37.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.7 pt-20 -101.95 145.2 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.89 173.98 16.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.46 -176.57 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -81.22 179.19 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.43 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.18 126.68 53.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' CD1' ' OG ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -106.67 131.79 53.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -87.81 99.17 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.498 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 38.4 t -98.9 145.13 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -117.16 127.85 54.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 158.64 29.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -54.76 -25.83 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -79.21 -24.51 43.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.38 173.39 14.91 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 tp -73.82 124.17 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -123.36 171.41 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 44.2 mmt-85 -112.65 158.65 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 37' ' ' ILE . 40.2 t -154.02 146.15 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' HG12 ' A' ' 21' ' ' VAL . 5.7 t -101.83 132.0 47.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.52 -164.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.5 m-20 -117.69 -43.87 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.83 -166.63 37.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.22 13.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.441 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.62 -18.28 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -86.5 159.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -118.05 165.25 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 82.6 t -44.63 -37.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.4 p -54.71 -51.81 64.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.91 -30.45 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.8 tp -68.58 -68.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HD2' ' CG1' ' A' ' 30' ' ' VAL . 38.4 mttt -41.13 -46.03 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -54.75 -45.04 74.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.8 mt -57.29 -66.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 21' ' ' VAL . 2.2 mp -54.39 -35.09 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.15 -32.59 71.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.92 -55.07 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.04 -56.37 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 91' ' ' LEU . 6.1 mt -79.64 -9.27 59.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.4 mm-40 57.81 53.37 7.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.555 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 34.1 mt -128.13 142.74 45.49 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.97 129.31 12.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 47' ' ' ASN . 8.2 mt -49.72 -52.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -45.77 -24.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.9 m-20 -98.4 -43.51 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 mt-30 -54.41 137.97 41.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 m -134.95 99.53 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 HD13 ' CE ' ' A' ' 71' ' ' MET . 5.0 mt -86.26 140.67 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.466 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.3 t -162.17 153.63 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -98.58 34.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -145.2 143.12 30.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -31.52 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -50.53 -28.33 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -59.63 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 90' ' ' TYR . 15.6 mt -79.98 -3.35 47.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.72 -33.77 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.86 117.4 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -110.93 -27.68 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 164.59 28.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.92 -26.73 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.31 -48.61 55.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -53.24 -20.26 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 26.4 mt -74.43 -13.37 60.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.01 -19.51 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.3 m-85 -115.62 98.92 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -123.92 54.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -26.61 13.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 50' ' ' LEU . 10.3 mmm -126.82 19.07 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.17 -27.41 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -72.23 119.51 75.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -18.1 19.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.17 5.48 51.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 137.9 31.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -97.78 144.15 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.9 pt -58.74 -18.37 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -65.93 -34.9 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -50.23 -27.44 5.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -106.37 -21.11 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 20.7 t30 77.88 63.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 81' ' ' LEU . 65.3 mt -101.09 114.94 29.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -120.54 167.66 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -46.07 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 135.34 -28.61 3.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.43 ' OG ' ' CD1' ' A' ' 10' ' ' LEU . 15.6 p -46.55 160.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -109.31 146.26 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 12' ' ' VAL . 8.0 p -152.57 152.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.4 m-85 -120.42 141.66 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 41' ' ' LEU . 14.2 tp -125.91 121.09 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . . . -121.47 120.09 33.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -132.52 156.05 47.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.89 133.75 35.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.32 -176.24 50.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.87 -177.43 6.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.357 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 41' ' ' LEU . 2.4 mtt85 -80.33 -163.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 10' ' ' LEU . 4.6 ttp -88.23 141.62 28.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' N ' ' HG2' ' A' ' 9' ' ' MET . 13.8 mt -124.66 149.64 46.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 7.7 mtt180 -108.46 101.32 10.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.529 ' CG1' HG11 ' A' ' 89' ' ' VAL . 9.0 m -94.01 154.79 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -116.19 124.52 50.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.7 p -118.6 171.88 7.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -67.43 -26.22 66.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -82.96 -21.4 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.72 -170.92 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' CD2' ' HD3' ' A' ' 11' ' ' ARG . 4.1 tp -83.57 126.82 33.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -121.18 149.24 43.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -118.54 155.17 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 22' ' ' SER . 44.8 t -153.59 145.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.427 ' N ' HG11 ' A' ' 21' ' ' VAL . 6.3 t -92.41 134.67 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 m -124.41 -165.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -103.98 -58.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.63 -154.81 25.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.57 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.74 -18.09 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -94.75 160.41 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.3 p -111.0 169.37 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 24.9 t -51.21 -36.06 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -56.13 -51.97 66.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.51 -37.27 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 78' ' ' ILE . 2.3 tt -58.22 -56.75 18.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' CE ' HD21 ' A' ' 50' ' ' LEU . 27.1 mttt -52.89 -68.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.68 -50.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.12 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.3 mt -64.81 -50.46 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.03 -32.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.4 -67.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -46.62 -52.68 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' ILE . 13.0 mt -77.2 -20.64 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 65.72 48.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 55.8 mt -127.01 142.64 44.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.583 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -74.99 125.74 9.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASN . 8.3 mt -49.68 -56.63 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.58 -30.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' ILE . 22.5 m-20 -93.88 -43.58 8.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 10.7 mt-30 -50.78 144.4 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 31.5 m -135.08 104.34 5.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD21 ' CE ' ' A' ' 34' ' ' LYS . 1.7 mm? -87.48 125.07 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -158.34 141.31 14.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.2 p -89.95 34.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -135.64 145.88 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -80.52 -16.66 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.2 -25.56 67.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.525 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -49.99 -46.04 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 mt -56.25 -27.7 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.37 -47.22 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . . . -43.13 110.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -22.61 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.03 163.84 23.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -24.67 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -81.0 -31.99 34.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -61.85 -46.81 87.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 59' ' ' ALA . 11.8 m-85 -57.13 -23.79 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 22.3 mt -73.98 -15.18 61.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.54 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 85.1 m-85 -96.07 101.12 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -121.63 34.44 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -38.15 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.48 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 47.2 mtp -132.2 45.56 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.52 -36.18 22.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.18 119.64 73.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.39 20.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -94.94 3.66 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 140.02 29.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -92.02 147.33 23.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.415 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.5 pt -60.56 -17.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.6 p -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -52.31 -29.45 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -110.16 -19.36 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 t30 63.83 55.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -75.8 97.78 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -88.63 174.31 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -64.2 96.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.13 -20.51 4.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 63.7 m -45.83 164.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 1.8 tpt -114.71 145.08 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.529 HG11 ' CG1' ' A' ' 12' ' ' VAL . 9.7 p -153.39 159.21 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.5 m-85 -125.08 131.52 53.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 34.2 tp -112.24 111.67 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -116.23 120.11 37.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -132.31 175.22 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.9 pt-20 -115.58 138.21 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.36 -173.51 53.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.71 -177.29 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -84.51 161.45 20.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.396 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.446 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 3.1 ttp -112.35 131.48 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.14 56.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 2.6 ttt180 -80.62 118.39 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 69.8 t -114.19 108.56 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.98 125.86 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -116.26 161.93 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -65.73 -17.14 64.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.9 -13.59 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.09 -154.87 25.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' CD1' ' HG2' ' A' ' 11' ' ' ARG . 2.4 tp -110.07 129.64 55.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.37 158.49 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 143.0 51.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 37' ' ' ILE . 48.9 t -131.46 147.49 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.411 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.7 t -98.52 132.64 43.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -117.18 -165.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 52.8 m-20 -108.1 -42.35 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 161.2 -164.06 34.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.459 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.7 -18.36 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.569 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.3 pp -86.82 163.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -118.75 169.91 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 56.0 t -49.09 -38.43 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -53.66 -50.32 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.14 -38.5 75.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 37' ' ' ILE . 7.5 tp -57.9 -56.29 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' CG ' HD23 ' A' ' 50' ' ' LEU . 53.2 mttt -53.41 -68.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LYS . 16.2 m -34.63 -50.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.65 -60.17 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 33' ' ' LEU . 2.9 mp -64.36 -49.5 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -46.14 -31.72 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 t0 -90.77 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.95 -55.67 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 9.6 mt -77.81 -17.78 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 54.6 mm-40 64.98 55.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 93' ' ' TYR . 17.9 mt -131.56 141.97 43.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.95 129.17 12.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -47.22 -59.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.9 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -92.37 -45.79 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.493 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 13.5 mt-30 -50.58 140.48 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 47.9 m -133.73 113.53 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.5 mm? -94.42 130.68 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -162.53 147.81 12.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -103.03 36.5 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 10.4 t-20 -134.85 141.75 46.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -21.26 61.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.57 -17.0 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.66 -44.05 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.72 -24.29 67.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.37 -47.76 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.5 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -47.21 119.29 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -111.16 -28.76 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -99.04 174.54 3.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -54.76 -39.38 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.73 -45.77 91.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.5 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 11.4 m-85 -63.63 -25.52 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -68.33 -16.33 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.78 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -93.74 111.39 23.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.6 p -140.67 47.76 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.54 -42.46 20.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 29.5 mtp -119.67 56.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.74 -24.1 16.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.3 121.24 83.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.51 19.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -96.01 9.96 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.63 143.25 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 151.58 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.3 pt -68.59 -24.64 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -21.93 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 1.6 mt -93.22 -3.35 53.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 61.88 65.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -101.05 128.8 46.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -123.95 175.96 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 9' ' ' MET . 9.8 t-160 -67.13 71.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 147.51 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -112.19 167.34 10.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.424 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 3.3 tpt -105.93 143.71 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 88' ' ' MET . 75.4 t -154.2 152.05 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 86.1 m-85 -120.13 128.3 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 15.8 tp -113.09 119.44 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -119.59 122.57 41.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 43' ' ' ILE . 3.4 p90 -137.55 168.05 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.4 pt-20 -116.11 150.51 37.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 96' ' ' GLU . . . 70.07 25.43 75.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 44.1 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.259 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.92 -166.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ttp -98.52 136.84 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.12 158.64 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -111.9 105.25 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.5 m -93.31 155.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.576 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -124.69 122.77 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 170.55 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -72.02 -15.08 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.46 -24.02 19.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.53 168.43 16.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tp -72.82 122.73 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' VAL . 21.6 mt-10 -118.89 153.2 34.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -118.52 145.89 44.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' SER . 59.6 t -137.23 145.91 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 7.2 t -98.09 131.3 44.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -129.08 -167.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' C ' ' NE2' ' A' ' 27' ' ' HIS . 1.6 m-20 -103.04 -45.0 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 158.68 -149.85 20.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -31.96 5.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -45.54 -24.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -91.53 152.83 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 p -110.4 168.96 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 72.1 t -48.61 -38.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -55.73 -53.01 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.02 -31.12 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 37' ' ' ILE . 6.6 tp -67.8 -58.08 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.546 ' CG ' HD23 ' A' ' 50' ' ' LEU . 31.8 mttt -49.49 -47.4 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -52.2 -39.7 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.7 mt -64.42 -69.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.496 HG21 ' CD1' ' A' ' 41' ' ' LEU . 3.1 mt -54.9 -19.85 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.15 -33.98 63.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.74 -40.6 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.34 -60.61 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 37' ' ' ILE . 15.4 mt -80.7 -2.28 46.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 31.6 mm-40 52.71 51.73 15.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.561 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.1 mt -123.62 144.42 44.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 133.95 17.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 7.3 mt -55.77 -58.39 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -39.36 -29.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ILE . 18.5 m-20 -91.11 -45.78 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 45' ' ' ILE . 22.0 mt-30 -47.62 137.14 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 24.3 m -135.52 106.09 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.546 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.2 mm? -85.12 136.92 33.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 3.7 t -159.45 128.24 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 22.6 p -88.48 38.07 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.39 126.61 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -58.33 -20.52 44.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.2 m-20 -55.78 -22.96 27.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -52.54 -47.57 66.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.3 -20.53 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.48 -31.84 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.31 120.78 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -112.33 -28.6 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -84.65 157.5 60.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.11 19.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -84.88 -31.62 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.03 -44.95 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.455 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.0 m-85 -53.6 -22.68 9.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.24 -18.37 49.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 55' ' ' ASN . 71.1 m-85 -98.42 94.92 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.8 p -120.32 44.95 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.73 -31.35 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 92.4 mtp -128.38 37.16 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.3 -30.47 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.83 123.86 88.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.1 18.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.83 1.21 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 145.73 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 77' ' ' ARG . 4.8 mpt_? -104.79 151.17 24.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.482 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 5.3 pt -67.34 -9.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -67.08 -25.14 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -63.61 -27.74 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -95.79 -22.31 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 74.36 33.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.54 101.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.49 171.69 9.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -58.52 100.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.07 24.27 7.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.3 p -72.72 -175.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 4.7 tpt -123.02 142.03 51.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' ARG . 83.1 t -154.35 160.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.7 m-85 -126.42 132.81 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.7 tp -111.79 117.23 32.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -117.69 125.42 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.6 p90 -143.75 171.8 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.64 136.42 52.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.61 176.5 49.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.31 -175.84 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -85.66 165.02 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -79.81 148.91 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -134.07 166.31 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -108.78 111.86 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.66 100.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' HB2' ' CE ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -80.02 123.2 27.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 p -121.34 155.43 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -55.27 -22.71 19.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -39.29 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.58 168.67 29.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.78 103.62 5.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -105.19 160.44 15.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -121.88 152.75 39.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' CG1' ' CD ' ' A' ' 40' ' ' GLN . 47.8 t -150.51 146.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 21' ' ' VAL . 8.3 t -91.78 145.35 24.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 m -132.91 -165.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.4 m-20 -103.2 -62.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 171.61 -158.01 28.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.84 -17.62 9.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.589 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -93.31 166.62 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -120.6 165.76 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.13 -36.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -55.41 -56.83 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.02 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 7.8 tp -64.76 -51.15 63.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 50' ' ' LEU . 27.8 mttt -55.18 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.75 -46.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.0 mt -55.15 -70.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 2.1 mp -55.84 -41.25 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.63 -33.52 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -58.76 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.429 ' CD ' ' CG1' ' A' ' 21' ' ' VAL . 29.2 mt-30 -50.3 -55.49 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 37' ' ' ILE . 11.0 mt -79.27 -16.0 57.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 64.81 53.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 93' ' ' TYR . 29.0 mt -128.98 141.97 43.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -74.99 130.6 13.43 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.3 mt -48.29 -58.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.17 -30.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 29.5 m-20 -92.2 -45.01 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 13.8 mt-30 -54.17 137.7 40.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 m -134.59 114.97 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 34' ' ' LYS . 2.4 mm? -91.95 135.38 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.479 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.6 t -163.02 153.42 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.407 ' CG2' HD13 ' A' ' 81' ' ' LEU . 1.2 p -102.93 33.62 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.2 146.82 39.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -79.52 -18.42 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.39 -15.86 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -64.23 -43.98 93.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.3 mt -55.44 -20.68 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.99 -46.32 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.504 ' O ' ' CE1' ' A' ' 65' ' ' PHE . . . -49.19 110.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -24.95 10.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 p -92.65 155.0 42.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -95.44 -23.54 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -81.69 -42.9 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.504 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 14.6 m-85 -54.88 -18.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.49 -14.46 59.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.47 60.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.2 m-85 -103.52 101.1 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 p -123.75 60.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 -28.6 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.1 mmm -129.69 33.57 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.12 -45.03 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -56.78 120.14 35.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.14 18.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -89.49 -6.99 55.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.36 141.02 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -98.9 152.22 20.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -64.35 -14.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -63.43 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.4 t -61.52 -34.2 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.3 OUTLIER -104.64 -12.04 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.6 m120 62.22 69.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.24 122.6 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.49 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -50.59 110.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.48 -26.52 9.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 m -48.28 169.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.1 tpt -121.34 144.5 48.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 88' ' ' MET . 97.2 t -154.2 156.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 87.5 m-85 -118.6 159.93 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ARG . 22.2 tp -145.25 121.13 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 56' ' ' LEU . . . -122.67 119.93 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 43' ' ' ILE . 3.8 p90 -134.55 177.0 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.5 pt-20 -123.06 158.38 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLU . . . 64.04 30.24 77.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.2 pt-20 39.98 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -82.32 165.55 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 9' ' ' MET . 12.2 tmm? -96.11 139.08 32.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -122.98 157.92 31.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.64 110.17 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -105.53 97.95 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 p -123.34 154.25 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.61 -36.26 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.28 -33.7 74.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.6 -172.77 37.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 2.2 tm? -90.85 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -138.23 157.15 46.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -116.24 141.94 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' CG2' HG13 ' A' ' 37' ' ' ILE . 99.6 t -134.62 147.49 29.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.6 t -98.39 132.25 44.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 m -125.38 -167.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.0 m-20 -104.89 -64.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 177.05 -155.32 17.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.581 1.176 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.69 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.796 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.43 -17.92 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.38 161.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -116.58 171.46 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 67.5 t -50.07 -37.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -54.46 -54.42 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -66.01 -30.59 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.8 tt -65.61 -54.93 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' CE ' HD23 ' A' ' 50' ' ' LEU . 35.6 mttt -55.71 -65.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.5 m -36.06 -44.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.56 -70.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.557 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.5 mp -54.01 -37.79 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.87 -32.2 67.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.98 -54.64 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.3 -55.26 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 37' ' ' ILE . 15.3 mt -79.31 -14.46 58.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 51.9 mm-40 63.01 55.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.522 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 45.5 mt -132.18 142.73 46.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -75.05 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -48.99 -57.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.27 -29.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 23.8 m-20 -94.24 -42.74 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 10.4 mt-30 -51.48 142.26 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ALA . 18.0 m -134.82 105.33 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.1 mm? -89.12 130.85 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.43 ' CB ' HD13 ' A' ' 56' ' ' LEU . 6.3 t -161.43 139.64 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.41 ' CG2' HD12 ' A' ' 81' ' ' LEU . 17.9 p -88.9 35.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 134.37 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -74.81 -13.53 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -71.39 -9.28 57.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD13 ' CB ' ' A' ' 51' ' ' SER . 12.4 tp -62.87 -46.69 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.512 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 9.9 mp -55.43 -21.06 14.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.75 -36.87 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -53.85 120.85 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.6 -32.12 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -97.68 175.05 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -74.08 -32.02 63.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -74.78 -20.75 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 61' ' ' SER . 12.5 m-85 -90.24 -34.33 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.68 -28.55 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.82 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.85 97.18 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 22.6 p -121.91 68.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -98.99 -40.57 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 56.9 mtp -122.72 42.25 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.68 -41.03 24.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.15 119.09 49.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.33 19.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -94.45 7.93 43.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.89 140.99 29.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.29 151.48 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 pt -64.32 -17.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -63.54 -24.97 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -53.4 -36.36 61.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -106.75 -11.59 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.79 69.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 2.4 mm? -91.07 104.07 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.31 172.95 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.613 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -22.32 22.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -44.98 168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.1 tpt -111.98 145.06 40.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' N ' ' HG3' ' A' ' 88' ' ' MET . 61.7 t -151.69 150.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 94.6 m-85 -123.32 138.83 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.69 151.24 41.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -150.35 131.87 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -143.35 160.08 41.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.7 OUTLIER -98.98 136.31 39.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 90.31 -127.19 8.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.15 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -80.47 167.13 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.384 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 m -124.84 143.8 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -107.42 136.59 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.7 -70.64 0.31 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -63.47 134.14 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -105.53 122.42 45.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.59 162.39 43.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.1 m -114.78 135.07 54.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 1.6 ttp -127.82 138.07 52.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 17.6 mt -123.12 156.22 35.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' SD ' ' A' ' 88' ' ' MET . 15.7 mtt180 -107.19 106.81 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.2 m -96.99 147.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -117.97 123.92 46.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.66 173.78 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.32 -27.14 63.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -78.25 -29.25 48.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.35 169.25 19.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.36 125.05 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' VAL . 24.3 mt-10 -122.05 167.92 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 21' ' ' VAL . 2.1 ptp85 -131.39 148.44 52.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CG2' HG13 ' A' ' 37' ' ' ILE . 98.4 t -136.01 149.16 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 21' ' ' VAL . 5.9 t -96.14 133.49 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 m -127.14 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.13 -50.77 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.61 -161.47 34.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.95 -24.57 12.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CD2' HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.63 -17.79 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.626 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -87.82 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -108.48 166.88 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 70.7 t -48.45 -37.74 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -56.26 -44.47 79.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.93 -32.99 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.5 tp -63.67 -69.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' CE ' ' CD2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -41.68 -46.54 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -53.91 -44.69 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.1 mt -59.14 -52.6 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.502 ' CG2' ' OE1' ' A' ' 48' ' ' GLN . 1.4 mp -67.46 -22.48 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.06 -27.9 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -95.14 -14.45 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' NE2' HG11 ' A' ' 21' ' ' VAL . 67.6 mt-30 -103.2 -60.79 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CG ' HG21 ' A' ' 37' ' ' ILE . 20.9 mt -77.62 -6.29 53.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 55.1 mm-40 57.22 31.95 20.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.503 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 89.3 mt -102.94 143.43 26.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.571 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -75.05 144.43 30.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.43 -30.27 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 10.6 p-80 -70.37 -6.57 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 38.4 m-20 -117.98 -41.2 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.502 ' OE1' ' CG2' ' A' ' 37' ' ' ILE . 36.2 mt-30 -46.37 135.35 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.3 m -135.18 101.92 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' CD2' ' CE ' ' A' ' 34' ' ' LYS . 2.0 mm? -85.61 142.27 29.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 7.9 t -163.39 134.94 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.9 p -90.71 31.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.54 137.84 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -71.45 -10.32 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -66.05 -12.93 58.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.533 HD13 ' CD2' ' A' ' 68' ' ' PHE . 17.8 tp -67.81 -31.84 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.6 mt -72.33 -5.93 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.5 -42.21 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -52.81 121.52 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -110.65 -28.88 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.86 175.02 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.1 Cg_endo -75.02 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.472 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -56.64 -39.38 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 2.4 t0 -55.45 -48.56 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.52 -28.73 69.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 56.6 mt -66.77 -11.07 53.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.45 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.533 ' CD2' HD13 ' A' ' 56' ' ' LEU . 61.5 m-85 -96.23 100.08 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -124.27 53.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.89 -35.09 8.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.453 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 69.6 mtp -124.1 45.51 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.07 -36.75 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 34.4 t70 -65.56 124.21 86.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.2 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.8 -7.13 47.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -75.68 143.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -101.39 147.64 26.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 19.6 pt -60.84 -24.08 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -20.63 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 t -59.31 -34.5 72.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -105.31 -17.51 14.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.47 75.05 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 1.3 mm? -99.75 118.06 35.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -110.79 170.69 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -60.7 84.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 150.5 -34.91 0.96 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLY . 15.5 m -41.59 163.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 11' ' ' ARG . 7.7 tpp -117.4 151.31 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' ARG . 55.2 t -149.45 163.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.0 m-85 -125.19 124.85 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 41' ' ' LEU . 14.3 tp -98.52 155.22 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 91' ' ' LEU . . . -157.51 120.26 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' A' ' 43' ' ' ILE . 37.3 p90 -133.1 156.38 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.72 147.82 23.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.99 -119.57 8.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.98 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -163.71 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 29.6 p -122.92 -165.34 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -103.73 134.83 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.95 173.78 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.06 139.51 2.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.7 t -169.31 136.76 1.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.02 95.96 0.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.37 7.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 t -139.25 134.6 32.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 113.12 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.461 1.1 . . . . 0.0 110.979 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 m 44.37 80.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -137.2 143.36 42.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.61 151.16 23.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -110.34 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -136.25 128.82 30.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.13 -130.79 10.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -93.38 137.56 32.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.793 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -117.5 149.79 40.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.76 149.98 52.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.85 101.68 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' GLU . 2.6 m -90.94 155.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.99 124.1 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 p -120.85 162.58 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -49.84 -41.3 44.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -61.47 -44.44 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.11 -129.56 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 2.0 tp -123.81 131.48 53.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' VAL . 27.6 mt-10 -123.39 159.81 28.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 148.99 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 37' ' ' ILE . 36.2 t -142.96 155.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -99.05 134.41 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.61 -166.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.66 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . -176.1 -162.55 27.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.01 -24.65 12.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.04 -18.16 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -89.08 151.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -104.03 170.84 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 53.7 t -52.06 -39.27 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -43.09 71.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -72.08 -33.09 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.9 tt -65.78 -73.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 38' ' ' GLN . 1.6 mttt -39.94 -43.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -55.44 -48.3 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.4 mt -57.96 -59.23 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' CG ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -59.86 -29.26 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -69.78 -23.74 63.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.72 -35.28 12.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' NE2' HG11 ' A' ' 21' ' ' VAL . 59.6 mt-30 -83.2 -59.66 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CG ' HG22 ' A' ' 37' ' ' ILE . 15.3 mt -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 55.5 58.97 4.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.503 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 37.6 mt -135.35 141.89 39.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.1 Cg_endo -74.99 125.85 9.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -49.66 -56.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.68 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ILE . 31.8 m-20 -93.88 -41.44 9.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 11.6 mt-30 -55.03 138.21 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 92' ' ' ALA . 98.0 m -135.57 98.82 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 71' ' ' MET . 15.6 mt -85.47 142.0 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.9 t -162.47 141.69 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 81' ' ' LEU . 2.0 p -89.7 35.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.86 126.0 15.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.68 -15.73 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -64.24 -14.58 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 68' ' ' PHE . 23.2 tp -65.43 -32.73 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.66 -7.5 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.08 -42.49 12.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.23 118.77 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.58 -26.41 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -95.33 175.28 2.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.05 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -58.76 -34.54 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -59.76 -45.41 92.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -66.4 -19.37 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -76.64 -17.07 59.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.99 69.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 70.9 m-85 -90.73 91.76 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.2 p -115.67 59.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -39.38 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.46 ' HE3' ' CD1' ' A' ' 50' ' ' LEU . 83.3 mtp -127.48 33.87 4.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.1 -34.48 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.0 t70 -68.67 122.89 86.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -18.61 18.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -90.26 -1.94 57.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.426 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -83.13 136.26 34.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -94.55 152.45 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.464 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 2.4 pt -65.39 -20.01 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -66.88 -13.79 62.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -65.9 -32.31 73.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -107.57 -16.42 14.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.2 t30 71.75 61.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 2.0 mm? -87.44 107.06 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.54 171.3 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.29 108.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.578 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.03 -10.26 13.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -57.48 173.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 5.7 tpt -113.1 145.34 41.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' MET . 33.9 t -151.8 155.0 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.0 130.77 53.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.49 155.21 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -151.39 126.59 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.6 p90 -145.49 147.65 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.3 pt-20 -90.99 135.18 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.24 176.06 37.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.102 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.86 -172.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -88.26 165.13 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 p -86.96 -168.43 2.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.93 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -51.39 162.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.66 139.22 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -100.49 -68.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 159.74 170.43 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.5 87.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.6 m -79.18 110.66 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -113.94 141.54 47.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.68 92.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.05 -152.32 7.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -97.56 144.71 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -150.68 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.38 -94.54 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 m -114.34 150.24 34.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.2 ttp -127.45 133.29 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.16 156.06 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -103.86 121.27 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.9 t -107.94 95.44 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -83.51 128.71 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 86.7 p -109.37 176.73 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 9.4 mtp-105 -34.64 -59.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -140.51 37.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.15 109.5 0.5 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -100.19 97.37 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.97 167.03 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.14 153.44 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -137.52 145.29 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -98.62 133.32 43.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.038 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -122.56 -165.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 55.5 m-20 -105.27 -37.33 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 155.33 -157.16 27.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.51 11.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -55.1 -18.24 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 1.1 pp -88.99 151.68 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -107.54 171.77 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 54.3 t -52.66 -38.49 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -55.4 -45.99 76.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -72.27 -30.43 64.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.9 tt -68.65 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -48.65 -51.3 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -48.73 -45.8 40.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.48 -70.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.492 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 4.6 mt -51.62 -33.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -61.65 -29.49 70.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 2.6 t70 -92.09 -57.83 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -53.53 -58.15 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' A' ' 91' ' ' LEU . 8.5 mt -76.86 -12.26 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.8 mm-40 59.42 54.73 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.533 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 42.3 mt -128.42 142.07 43.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 132.99 16.07 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.5 mt -48.86 -58.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.26 -28.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 16.2 m-20 -93.93 -46.21 7.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 17.7 mt-30 -53.44 132.38 39.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 92' ' ' ALA . 42.9 m -135.04 100.44 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -86.01 143.36 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -162.37 144.62 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 p -90.88 22.58 3.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -126.87 112.44 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.48 -19.52 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 14.6 m-80 -61.1 -16.72 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 68' ' ' PHE . 25.2 tp -59.3 -46.43 88.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 14' ' ' SER . 11.1 mp -53.52 -23.05 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -72.89 -49.28 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -41.22 122.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -110.02 -29.68 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.94 172.98 4.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 50.9 p -61.85 -33.21 73.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -60.26 -45.21 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 14.7 m-85 -65.05 -22.95 67.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 77.9 mt -71.27 -17.03 62.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.32 63.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 56' ' ' LEU . 76.5 m-85 -102.82 99.81 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -126.34 65.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -28.1 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 78.3 mtp -133.2 32.18 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.64 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 44.6 t0 -63.96 123.12 80.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.35 6.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 73' ' ' ASP . 15.9 p30 -84.72 7.23 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -92.81 139.78 30.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -94.26 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.412 ' CG2' HD13 ' A' ' 33' ' ' LEU . 16.6 pt -69.93 -23.15 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.8 p -54.77 -26.09 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.8 t -55.63 -28.79 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -110.41 -13.06 14.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 66.21 70.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.1 mt -104.85 108.63 20.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.23 171.26 8.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.1 t60 -43.03 123.26 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.71 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -48.29 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.3 tpt -123.72 146.04 48.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 88' ' ' MET . 10.2 t -152.08 144.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 77.5 m-85 -112.67 159.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 13.0 tp -131.19 157.34 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -154.14 120.09 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 5.4 p90 -130.47 162.64 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -103.63 136.04 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 80.65 -120.52 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.07 -175.3 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -85.32 169.15 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.9 p -89.87 -167.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.79 119.13 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.39 158.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -164.21 -125.45 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.0 165.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.96 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.02 116.95 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.439 1.087 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 111.35 3.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 120.11 38.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.29 113.69 27.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 48.22 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.75 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 114.39 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.36 104.77 0.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -76.05 127.93 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -63.62 -60.23 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.952 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.65 -108.96 0.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.6 m -116.96 111.56 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -107.07 131.9 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.94 123.57 49.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 102.46 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 10.6 m -94.73 155.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -121.12 124.91 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.4 ' OG ' ' OE2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -120.21 153.07 36.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -53.67 -29.04 36.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.4 -24.13 46.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.22 -176.27 32.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.01 129.28 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE2' ' OG ' ' A' ' 14' ' ' SER . 2.9 mt-10 -125.19 151.94 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -119.96 141.22 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 37' ' ' ILE . 92.3 t -135.96 146.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -96.5 137.4 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.13 -166.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 83.1 m-20 -105.25 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.43 -159.11 29.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.87 12.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.17 -18.2 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 HG21 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -93.58 162.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.3 p -113.95 178.46 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 42.4 t -58.69 -37.56 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.5 p -55.1 -45.93 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -72.81 -30.35 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.9 tt -68.9 -58.77 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' CE ' HD22 ' A' ' 50' ' ' LEU . 67.8 mttt -52.81 -47.72 67.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -51.97 -40.63 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.73 -66.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.529 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.7 mp -55.25 -29.65 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.42 -30.54 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.5 -41.39 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -69.64 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 91' ' ' LEU . 13.4 mt -76.56 -10.2 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 100' ' ' ARG . 40.5 mm-40 60.11 52.54 5.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 45.0 mt -126.61 141.31 39.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.96 130.25 13.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.18 -33.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -64.59 -11.03 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.423 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 39.6 m-20 -115.98 -42.96 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 19.3 mt-30 -49.79 139.39 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.5 m -134.53 108.41 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD22 ' CE ' ' A' ' 34' ' ' LYS . 2.0 mm? -94.06 140.78 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 14.4 t -161.62 162.72 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.7 p -113.32 33.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.01 140.91 40.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.547 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -72.39 -16.74 61.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -12.16 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 68' ' ' PHE . 15.8 tp -56.4 -49.82 73.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 4.9 mp -66.31 -11.5 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.94 -26.88 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -71.18 120.71 17.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -111.32 -29.37 7.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 166.08 23.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.85 3.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 41.4 m -73.17 -28.51 62.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.417 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.26 -44.25 92.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 28.0 m-85 -64.99 -18.42 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 60.1 mt -75.63 -3.46 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.43 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 56' ' ' LEU . 39.6 m-85 -90.49 93.39 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.6 p -112.61 44.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -49.07 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -113.39 35.95 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.85 -31.01 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -77.47 121.43 84.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -20.12 17.2 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -92.88 8.41 39.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD21 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -90.35 141.04 29.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.27 151.34 19.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 pt -71.51 -16.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 t -63.73 -19.74 65.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 t -64.85 -36.26 83.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD1' HD22 ' A' ' 83' ' ' LEU . 2.8 mt -91.87 -26.23 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 27.3 t30 80.08 43.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.06 138.67 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.29 168.84 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.36 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.17 -17.04 3.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m -52.31 171.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -121.52 144.53 48.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.539 ' CG1' ' CG1' ' A' ' 12' ' ' VAL . 9.7 p -150.91 161.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 97.9 m-85 -125.9 131.3 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 41' ' ' LEU . 8.5 tp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -144.81 124.14 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.5 p90 -140.43 165.49 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -101.56 137.03 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.85 178.66 8.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.05 -173.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -88.82 -166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.9 p -116.08 -174.75 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.16 141.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -60.46 145.28 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -158.3 149.45 19.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 98.5 p -152.72 145.19 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.04 103.17 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.69 6.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.0 m -152.69 173.66 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 t -99.67 145.67 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.945 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -121.24 97.51 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.74 78.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.39 70.85 0.51 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -66.32 137.98 57.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.47 100.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.65 -118.17 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -109.21 136.31 48.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 17.0 tmm? -111.64 148.39 33.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' N ' ' SD ' ' A' ' 9' ' ' MET . 9.3 mt -129.23 147.62 51.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -106.23 101.09 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.0 m -90.46 155.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.88 124.11 42.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 p -119.01 151.27 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.78 -39.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.53 -50.02 73.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.13 -129.95 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -128.5 131.67 48.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' VAL . 23.1 mt-10 -124.02 159.7 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 147.79 47.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 37' ' ' ILE . 35.1 t -141.02 155.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' N ' HG11 ' A' ' 21' ' ' VAL . 7.8 t -101.22 131.98 46.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.45 -164.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.98 -62.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.73 -155.01 20.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.41 -17.99 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.57 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.562 HG22 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -91.47 167.63 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -123.76 165.36 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 76' ' ' LEU . 75.5 t -48.29 -31.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.5 p -60.3 -46.4 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -75.62 -37.5 59.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 8.0 tp -59.74 -55.76 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.29 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 41' ' ' LEU . 1.9 mp -52.73 -36.57 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.05 -31.95 67.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 6.7 t70 -89.24 -59.62 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' CD ' HG12 ' A' ' 21' ' ' VAL . 23.1 mt-30 -52.06 -56.25 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' ' 37' ' ' ILE . 13.5 mt -77.97 -10.63 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 56.4 mm-40 57.75 52.56 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -126.92 142.07 42.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.6 mt -47.24 -58.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -93.58 -43.43 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 16.5 mt-30 -56.1 133.87 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' ALA . 1.3 m -134.76 99.1 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' CE ' ' A' ' 71' ' ' MET . 9.1 mt -86.03 136.85 33.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -161.77 150.75 15.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 81' ' ' LEU . 2.9 p -94.12 33.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -129.45 134.77 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -10.45 59.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.9 -12.8 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 68' ' ' PHE . 12.8 tp -57.91 -42.53 84.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 57' ' ' LEU . 9.1 mp -59.93 -30.21 68.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -65.68 -50.26 65.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -44.67 121.33 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.74 -28.76 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.45 170.27 7.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.63 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.559 1.82 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -62.45 -31.97 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.06 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -63.1 -48.06 80.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 92' ' ' ALA . 29.2 m-85 -62.56 -24.27 67.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 71.8 mt -67.93 -11.0 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.23 -29.14 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 56' ' ' LEU . 39.4 m-85 -100.11 104.5 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 p -126.19 50.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -96.32 -32.8 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.455 ' CE ' HD12 ' A' ' 50' ' ' LEU . 7.3 mmm -123.17 31.78 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.27 -35.7 30.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.58 119.12 60.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.21 18.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -92.06 0.85 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.79 144.06 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -100.29 150.36 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 pt -64.56 -19.6 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -31.41 69.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -49.92 -36.28 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG2' ' A' ' 52' ' ' THR . 0.4 OUTLIER -100.04 -18.96 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 76.04 48.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.8 mt -78.92 118.95 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.85 168.78 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -51.35 107.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.66 -30.26 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -45.16 167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.528 ' CE ' ' CD1' ' A' ' 18' ' ' LEU . 5.5 tpt -112.83 145.7 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' MET . 56.4 t -148.9 157.26 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.2 m-85 -125.26 130.23 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 92' ' ' ALA . 17.7 tp -105.24 157.95 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . . . -153.24 120.1 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -140.67 149.75 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.2 tt0 -96.94 136.51 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 70.72 162.49 4.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -84.29 167.21 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -74.04 -166.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 mt -101.92 136.81 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.06 161.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.75 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 t -164.34 156.97 17.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.29 -140.35 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 98.98 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.13 86.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 m -99.77 96.58 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -103.99 82.69 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -121.56 145.49 47.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.87 -177.22 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -70.34 147.1 50.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -66.36 -49.25 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.27 55.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -121.12 114.98 22.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -111.33 130.58 55.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -110.52 133.98 52.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -93.08 100.37 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 62.8 t -96.33 149.85 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.584 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.45 134.19 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -121.43 -174.72 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -93.58 27.02 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.19 27.9 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.77 174.85 19.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 129.5 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -113.05 147.69 36.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -109.48 146.57 34.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CG2' HG13 ' A' ' 37' ' ' ILE . 60.3 t -139.72 157.68 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 21' ' ' VAL . 7.2 t -106.26 130.32 54.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.57 -164.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -115.28 -45.86 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 165.08 -161.12 34.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.35 13.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.49 -18.49 7.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -88.11 151.4 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.5 p -107.38 167.3 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -47.47 -39.0 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -42.83 80.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -75.32 -34.21 61.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.6 -56.84 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' THR . 33.1 mttt -53.47 -65.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.4 m -37.16 -48.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.3 mt -52.77 -53.52 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.48 HG13 ' CG2' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -67.3 -50.96 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -45.36 -27.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t70 -93.19 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' NE2' HG11 ' A' ' 21' ' ' VAL . 42.4 mt-30 -53.21 -56.07 19.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 37' ' ' ILE . 13.7 mt -76.09 -17.07 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 59.0 mm-40 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -135.53 142.84 42.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.571 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.3 mt -50.06 -43.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -49.07 -22.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ILE . 37.6 m-20 -104.26 -35.86 7.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 12.9 mt-30 -61.78 139.42 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' ALA . 1.8 m -135.43 102.6 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 91' ' ' LEU . 5.7 mt -85.51 141.0 30.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -159.65 171.6 19.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -118.83 35.11 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.65 117.44 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.19 -20.4 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 49.4 m-80 -63.05 -13.84 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 68' ' ' PHE . 40.8 tp -64.05 -29.81 70.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 29.4 mt -73.48 -12.78 60.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.3 -43.9 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -51.04 120.45 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -110.71 -29.92 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.0 171.4 7.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.56 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 5.0 t -61.23 -28.41 69.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -66.26 -46.77 75.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 79.1 mt -71.46 -11.04 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.42 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 36.3 m-85 -102.85 101.7 11.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -128.37 61.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -40.3 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.8 mtp -112.76 24.38 12.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.17 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -78.23 119.49 77.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.37 11.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -84.51 3.48 36.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 139.94 30.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -99.27 147.34 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -61.69 -15.0 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.2 p -67.98 -30.04 69.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -61.16 -31.44 71.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.8 -8.0 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.85 71.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.3 mt -112.23 125.65 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.28 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -52.82 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.42 -14.28 4.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 88' ' ' MET . 6.4 t -62.72 174.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -126.07 145.81 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.514 ' CG1' ' CG2' ' A' ' 12' ' ' VAL . 10.3 p -151.94 157.48 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.6 m-85 -124.7 134.14 52.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 50' ' ' LEU . 22.5 tp -106.56 158.8 16.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -154.7 119.97 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.4 p90 -142.84 150.43 39.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -95.62 135.74 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.8 176.94 46.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.17 -172.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -86.16 176.12 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -93.78 -168.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.6 145.12 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.92 157.51 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.77 121.68 1.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.2 m -68.13 -58.92 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.16 87.05 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.19 34.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 t -165.84 144.64 6.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.4 p -77.29 116.97 18.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -78.68 88.17 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.51 91.15 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.26 -157.12 14.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 167.41 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -104.75 -56.93 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.03 -156.66 0.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.4 m -92.17 141.16 28.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.4 ttp -121.71 136.52 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' ' HG2' ' A' ' 9' ' ' MET . 21.5 mt -120.44 156.4 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -96.87 120.22 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.52 105.51 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HB2' ' CE ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -79.47 123.67 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -127.46 169.9 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -49.32 -54.74 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.26 -41.56 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.96 -114.07 0.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -129.13 103.91 7.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -101.92 155.71 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 156.68 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 22' ' ' SER . 39.6 t -142.19 146.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' N ' HG11 ' A' ' 21' ' ' VAL . 7.9 t -96.35 132.83 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -119.46 -168.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.28 -47.03 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.1 -170.23 42.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.06 -25.12 12.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -52.43 -20.64 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.549 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.4 pp -85.31 155.87 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.0 p -101.28 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.9 t -53.04 -47.08 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 p -47.63 -49.02 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.24 -28.92 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 37' ' ' ILE . 4.9 tp -71.66 -54.51 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HE2' ' CD2' ' A' ' 50' ' ' LEU . 2.2 mtpm? -48.68 -61.07 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 m -41.45 -54.65 3.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt -45.43 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 33' ' ' LEU . 6.4 mt -52.38 -44.78 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -54.31 -30.56 51.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t0 -87.73 -65.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -48.69 -55.34 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 91' ' ' LEU . 5.4 mt -75.73 -17.89 59.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 77.5 mm-40 64.52 40.51 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.541 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 59.7 mt -113.61 142.48 27.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 131.19 13.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.448 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -46.76 -60.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -39.79 -29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.4 m-20 -92.65 -47.06 7.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 16.1 mt-30 -51.3 136.38 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.4 m -135.09 104.93 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' CD2' ' HE2' ' A' ' 34' ' ' LYS . 1.9 mm? -87.08 133.05 33.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' CB ' HD12 ' A' ' 56' ' ' LEU . 5.8 t -163.34 141.22 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.4 p -91.38 34.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -138.56 145.94 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 4.3 ptm180 -76.62 -25.9 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -51.02 -22.85 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -54.15 -39.56 66.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.42 -22.43 62.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.45 -35.22 47.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -58.48 116.05 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -110.98 -25.9 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.11 162.06 33.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.07 12.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.409 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.0 -31.34 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -62.01 -46.95 86.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 11.0 m-85 -56.87 -25.72 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 42.9 mt -69.45 -9.68 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.04 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 64.6 m-85 -93.52 95.8 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -118.9 46.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.41 -47.01 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.444 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 83.4 mtp -114.72 45.48 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.28 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -65.58 120.33 67.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.9 16.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -90.52 6.23 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 138.68 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -94.15 142.1 27.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 13.4 pt -57.33 -25.2 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t -57.02 -31.11 64.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -52.89 -43.19 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mt -89.91 -15.27 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.92 74.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.6 mt -107.82 119.17 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.3 165.36 17.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.8 t-160 -48.12 107.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.5 -35.97 2.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -44.85 169.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 13.9 tpt -120.78 147.43 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 88' ' ' MET . 98.0 t -153.74 154.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' A' ' 54' ' ' ARG . 80.3 m-85 -115.59 157.68 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 41' ' ' LEU . 52.2 tp -139.94 120.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -122.12 120.33 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 4.4 p90 -131.98 169.4 16.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.6 tt0 -105.65 137.71 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.0 148.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.1 pt-20 -49.62 179.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -76.98 162.74 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 10.8 p -67.13 -166.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.73 154.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 52.81 72.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.89 -67.11 1.63 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.427 1.079 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -63.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.059 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.11 161.1 27.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.88 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.8 m -54.8 128.2 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.59 136.77 34.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.936 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -136.97 97.67 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -110.42 110.09 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.09 173.6 2.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.94 165.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -173.51 146.93 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.48 -166.63 17.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -105.27 110.27 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -111.34 132.14 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 130.73 55.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.1 ttt180 -81.78 127.6 33.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -122.37 106.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.6 OUTLIER -80.84 135.21 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 59.3 p -129.77 162.64 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -14.04 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -93.57 -13.06 28.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' ' OG ' ' A' ' 14' ' ' SER . . . 140.77 157.02 7.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -72.18 132.63 44.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 69.4 mt-10 -134.32 170.61 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.5 143.19 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 37' ' ' ILE . 48.6 t -131.25 145.27 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.427 ' N ' HG11 ' A' ' 21' ' ' VAL . 2.7 t -85.16 155.41 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.73 -164.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 94.4 m-20 -122.75 -45.19 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.79 -163.57 35.87 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.09 13.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.62 -18.07 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.566 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -87.17 148.79 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -105.66 172.68 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.6 t -52.6 -37.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -56.53 -44.65 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -74.76 -32.15 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.576 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -66.05 -61.3 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' CE ' HD23 ' A' ' 50' ' ' LEU . 69.1 mttt -49.49 -51.15 38.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -49.25 -47.18 46.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.53 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.576 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 3.8 mp -53.13 -36.21 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -63.62 -29.82 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.354 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -92.07 -53.84 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -56.79 -59.45 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mt -76.8 -9.51 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.7 mm-40 58.14 54.71 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.537 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 51.9 mt -127.45 142.4 43.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.1 Cg_endo -75.08 128.06 11.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.2 mt -48.23 -57.32 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -40.45 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.5 m-20 -94.2 -45.82 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.5 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 14.0 mt-30 -49.58 141.94 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 39.1 m -134.54 105.21 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD23 ' CE ' ' A' ' 34' ' ' LYS . 1.8 mm? -89.58 129.1 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 t -162.8 136.24 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.063 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 p -89.14 34.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.523 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 17.8 t-20 -128.69 113.48 15.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -54.79 -18.5 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.9 m-20 -65.38 -11.35 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.555 HD12 ' CD2' ' A' ' 68' ' ' PHE . 13.6 tp -60.52 -47.7 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 57' ' ' LEU . 10.2 mp -55.4 -29.25 58.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 -48.98 63.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -44.82 119.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -22.7 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.465 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -106.36 176.1 1.81 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.97 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -49.31 -37.23 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 1.4 t0 -59.97 -54.23 48.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 92' ' ' ALA . 23.2 m-85 -61.8 -22.59 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 75.9 mt -70.81 -7.98 49.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.7 31.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CD2' HD12 ' A' ' 56' ' ' LEU . 80.7 m-85 -99.9 119.27 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 p -149.16 49.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.12 -33.44 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 55.2 mtp -121.03 47.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.24 -34.34 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.07 120.11 77.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -18.57 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.83 -3.37 57.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.52 146.32 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.4 pt -57.6 -27.44 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 p -52.13 -31.51 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 t -55.0 -41.08 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 1.6 mt -93.13 -25.21 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 44.9 t30 79.61 57.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.23 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -111.95 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -60.0 116.62 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.58 -20.44 27.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 41.5 m -52.38 161.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.968 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.9 tpt -108.26 144.82 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 88' ' ' MET . 46.2 t -153.64 153.1 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 93.5 m-85 -122.5 140.63 52.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.34 153.82 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . . . -153.35 124.49 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.9 p90 -142.01 173.08 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.4 pt-20 -113.87 146.24 40.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.22 171.01 7.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 179.07 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 43' ' ' ILE . 39.7 mtt180 -81.07 173.56 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.9 p -90.53 -167.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.02 130.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -66.15 125.97 27.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.17 123.79 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -119.11 -59.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -159.1 21.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.62 90.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.41 131.1 47.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.035 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 m 61.43 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -63.07 115.3 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.93 117.86 4.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -75.35 158.89 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.29 158.97 38.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.06 -131.18 8.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 m -116.01 119.9 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 14.3 tmm? -104.73 147.93 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' N ' ' SD ' ' A' ' 9' ' ' MET . 12.7 mt -128.54 149.29 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -106.74 100.02 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 2.6 m -90.83 139.64 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -107.67 122.01 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.4 p -124.98 171.72 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 5.9 ptp180 -64.9 -36.57 84.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.96 -11.09 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.51 175.88 14.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -71.68 134.27 46.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' VAL . 21.1 mt-10 -129.6 155.12 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.05 156.85 28.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG21 ' CG1' ' A' ' 37' ' ' ILE . 60.9 t -153.92 145.39 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.5 t -95.92 133.66 39.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.4 -166.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.26 -58.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 173.58 -157.28 25.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.48 10.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -54.49 -18.73 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.462 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -89.37 164.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -120.52 169.99 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -50.32 -39.42 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 p -52.79 -46.05 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -71.96 -36.44 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 37' ' ' ILE . 4.9 tp -63.06 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 72' ' ' ALA . 64.8 mttt -45.53 -49.13 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -50.76 -47.31 59.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.34 -67.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG21 ' CD1' ' A' ' 41' ' ' LEU . 3.9 mt -53.34 -35.6 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.08 -28.77 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.5 t70 -91.76 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -51.34 -56.74 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD13 ' CD2' ' A' ' 91' ' ' LEU . 8.4 mt -77.38 -13.94 59.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 69.3 mm-40 60.81 52.01 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.534 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 48.7 mt -125.4 142.09 40.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.1 Cg_endo -75.09 134.54 17.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASN . 3.8 mt -51.69 -51.37 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -48.55 -22.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.433 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 25.3 m-20 -100.01 -45.69 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 22.1 mt-30 -55.34 132.36 47.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 4.9 m -135.12 103.59 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.79 142.63 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 t -162.25 143.41 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 81' ' ' LEU . 2.4 p -89.56 36.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -145.83 127.08 14.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.1 ptt85 -57.48 -23.37 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -50.19 -24.28 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -50.56 -48.35 57.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.13 -23.5 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.74 -36.29 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -64.8 119.49 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.28 -27.18 8.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -94.39 174.63 3.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.99 -49.84 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.478 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 1.6 t0 -56.66 -51.83 67.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -59.47 -21.61 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 38.1 mt -77.61 -7.59 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.24 -26.8 52.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.74 107.61 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.8 p -133.32 44.13 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -100.54 -37.81 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.9 mtp -116.75 26.67 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 34' ' ' LYS . . . -86.08 -39.11 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 30.4 t70 -59.24 120.85 51.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -17.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -92.68 1.59 57.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -85.85 144.7 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.84 157.58 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 4.6 pt -73.15 -33.98 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -57.13 -18.45 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -57.81 -31.18 66.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -105.1 -22.57 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 1.6 t30 81.86 56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 78' ' ' ILE . 1.7 mm? -86.07 108.72 18.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -100.82 172.96 6.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.8 97.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.74 -22.39 4.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 74.7 m -43.95 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.8 tpt -109.08 145.22 36.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' ARG . 92.9 t -153.66 157.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.3 137.3 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 41' ' ' LEU . 19.2 tp -117.34 115.32 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -114.09 119.8 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' CD2' HD13 ' A' ' 43' ' ' ILE . 16.9 p90 -138.29 159.52 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.6 pt-20 -91.99 145.8 24.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.04 165.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.65 -179.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -75.2 157.79 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 p -63.47 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.25 135.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.21 138.61 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 124.98 103.51 1.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.38 116.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -169.62 135.64 3.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 57.92 4.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.5 p -131.48 134.54 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.5 t -56.44 130.4 44.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.39 142.62 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -154.08 -57.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.73 -122.94 1.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.23 157.25 20.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.52 127.23 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.85 -113.66 0.46 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m -133.24 135.08 44.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -120.85 143.9 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 mt -132.11 155.86 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -103.2 116.56 32.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.7 t -103.88 108.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -96.72 133.78 40.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 17' ' ' GLY . 56.9 p -107.03 176.73 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.45 -45.97 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.97 36.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 14' ' ' SER . . . -151.28 112.28 0.53 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -94.13 126.57 39.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' VAL . 3.9 mt-10 -139.52 167.96 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.52 148.88 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 37' ' ' ILE . 57.4 t -137.04 145.7 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.9 t -95.81 132.55 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.55 -166.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.21 -60.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 179.79 -163.7 31.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -24.16 13.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.64 -18.32 7.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -89.42 155.64 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.2 p -103.07 163.5 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -47.85 -44.24 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 74' ' ' PRO . 12.5 p -49.5 -49.5 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.9 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.76 -57.34 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLN . 1.4 mtpm? -49.34 -49.57 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 m -49.66 -46.17 49.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.19 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 21' ' ' VAL . 2.6 mt -51.9 -34.49 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.35 -30.77 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 15.6 t0 -91.96 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -47.48 -57.2 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -77.65 -17.23 57.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.0 mm-40 65.07 55.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.543 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 21.6 mt -130.04 142.43 45.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 134.81 18.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 48' ' ' GLN . 3.1 mt -50.79 -55.9 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -44.32 -25.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.58 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ILE . 19.8 m-20 -96.85 -46.13 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 45' ' ' ILE . 21.5 mt-30 -55.09 133.22 48.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' ALA . 16.2 m -135.42 100.47 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -162.58 140.63 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' HD11 ' A' ' 81' ' ' LEU . 4.6 p -90.13 32.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.75 113.61 9.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.26 -19.89 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 78.9 m-20 -61.8 -18.59 60.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.564 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 26.1 tp -60.28 -37.93 82.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 HD13 ' CE1' ' A' ' 90' ' ' TYR . 26.5 mt -63.03 -17.34 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.29 -47.75 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.04 118.43 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.63 -28.24 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -96.3 174.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.08 -48.3 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 79.6 p -55.7 -38.25 69.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.91 -46.79 84.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.14 -20.91 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 45.3 mt -76.82 -13.01 60.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.66 69.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 79.8 m-85 -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.2 p -126.78 50.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.51 -30.29 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 73.5 mtp -128.8 26.0 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.58 13.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.4 t70 -54.96 120.64 30.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' SER . 18.3 Cg_endo -75.0 -21.22 16.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.97 -3.77 59.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.446 ' N ' ' OD2' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -85.65 141.17 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.82 144.52 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 17.7 pt -54.18 -31.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -25.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -56.65 -29.59 62.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD11 ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -111.12 -14.21 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.42 73.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -97.01 112.41 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.2 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.96 102.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.64 -24.7 4.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.9 t -48.69 172.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 6.7 tpt -116.09 145.67 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' N ' ' HG3' ' A' ' 88' ' ' MET . 45.3 t -150.2 148.19 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 83.2 m-85 -117.61 159.5 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 65.7 tp -126.49 161.92 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -161.12 119.26 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.3 p90 -136.38 158.05 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.46 146.52 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.55 -119.93 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -175.15 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -81.38 168.12 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 p -89.26 -167.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 100' ' ' ARG . 4.0 mp -94.37 140.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -77.17 155.03 32.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.6 153.89 8.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.84 141.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.58 99.18 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 173.23 14.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 t -176.28 94.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.8 t -109.52 128.52 55.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.12 102.44 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 p 56.83 166.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 159.44 53.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -71.7 125.97 28.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -127.85 155.84 43.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 -120.37 21.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -135.04 131.46 37.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.38 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.411 ' H ' ' CE1' ' A' ' 85' ' ' HIS . 19.2 tmm? -109.42 140.55 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -125.29 145.85 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -104.42 102.52 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.532 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 10.7 m -95.59 155.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -119.41 124.29 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLY . 19.5 p -114.47 153.92 29.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.28 -22.09 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -34.07 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 168.75 -124.4 1.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -131.07 128.57 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -125.53 152.45 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.93 153.47 41.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.64 147.91 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -93.88 132.71 38.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.89 -165.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.59 -62.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.01 -157.88 26.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -74.96 -24.81 12.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.68 -18.46 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.23 162.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.9 p -116.0 165.81 12.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 77.4 t -45.96 -38.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -54.24 -53.78 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.1 -37.66 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 37' ' ' ILE . 7.0 tp -58.72 -54.98 41.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.565 ' CG ' HD23 ' A' ' 50' ' ' LEU . 26.1 mttt -53.31 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 34' ' ' LYS . 6.8 m -33.41 -47.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.27 -59.55 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -63.45 -44.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -52.04 -27.71 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.43 -63.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -52.15 -51.83 55.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 37' ' ' ILE . 12.3 mt -76.14 -24.61 54.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 68.81 45.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 66.5 mt -124.51 142.32 40.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.99 125.82 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.759 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 34' ' ' LYS . 9.5 mt -51.05 -44.02 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -47.91 -23.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.171 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ILE . 40.0 m-20 -102.25 -41.5 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 11.2 mt-30 -53.48 141.37 25.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -134.85 112.9 11.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.565 HD23 ' CG ' ' A' ' 34' ' ' LYS . 3.3 mm? -90.0 128.91 36.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -162.19 140.02 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 p -89.6 36.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -136.76 146.85 46.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 3.2 ptm180 -79.87 -22.41 42.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.66 -25.06 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -49.08 -48.52 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 57' ' ' LEU . 10.1 mp -57.56 -30.3 65.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -46.2 63.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 64' ' ' ASP . . . -47.72 116.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -110.97 -24.44 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -103.27 176.92 1.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.0 -41.95 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 1.6 t0 -57.49 -52.9 63.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 18.6 m-85 -61.7 -22.36 65.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 37.1 mt -74.35 -13.54 60.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.4 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -90.29 104.85 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.7 p -131.11 57.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.2 -29.06 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 39.7 mmm -119.37 26.09 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.26 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -62.13 119.69 51.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.74 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -94.76 0.44 54.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.427 HD21 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -82.31 134.04 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.96 153.46 21.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.7 pt -69.15 -21.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.3 p -60.82 -17.87 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -65.21 -28.88 69.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 3.74 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 50.16 65.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.11 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.88 175.53 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.411 ' CE1' ' H ' ' A' ' 9' ' ' MET . 3.4 t-160 -67.54 102.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.543 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . . . 124.83 -16.68 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 11.1 t -48.65 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 110.028 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -121.0 144.27 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.532 ' CG1' ' CG1' ' A' ' 12' ' ' VAL . 12.2 p -153.59 159.77 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 95.1 m-85 -123.24 135.87 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -117.2 116.21 26.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.494 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -114.25 120.07 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -140.28 162.26 35.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 1.4 tt0 -102.85 137.93 40.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 74.86 163.17 10.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -177.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.84 158.4 20.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -76.91 -166.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 100' ' ' ARG . 2.8 mp -86.16 138.73 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.401 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -100.74 137.08 39.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 145.18 -178.37 23.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m 60.22 113.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.63 -154.21 8.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.138 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.95 6.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 p -152.82 99.41 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 m -100.01 132.06 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.53 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 62.06 133.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 -150.4 47.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -54.56 169.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 0.77 . . . . 0.0 109.971 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -134.46 100.74 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.039 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.91 -126.07 2.85 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.5 m -76.38 120.73 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.7 ttp -115.91 125.33 52.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.34 145.7 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -102.89 101.06 11.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 m -90.39 155.35 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.36 123.18 40.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.6 p -122.23 167.0 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -56.9 -44.47 82.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.07 -33.16 74.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.27 -175.4 33.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.17 130.91 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.62 151.83 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -104.16 156.67 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 20' ' ' ARG . 94.1 t -157.39 148.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 21' ' ' VAL . 8.0 t -104.08 130.83 51.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.85 -165.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 50.8 m-20 -112.55 -42.17 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 159.61 -163.6 33.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.66 12.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.5 -18.59 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -87.38 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.2 p -109.45 171.54 7.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' A' ' 76' ' ' LEU . 53.5 t -51.12 -38.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.5 p -55.19 -46.41 75.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -73.39 -35.0 65.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 37' ' ' ILE . 5.4 tp -62.61 -52.83 61.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.1 mttt -51.05 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 39' ' ' ASP . 85.6 m -36.46 -51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 mt -50.46 -70.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 33' ' ' LEU . 12.7 mt -53.19 -36.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.01 -22.36 65.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' THR . 16.3 t0 -93.38 -50.36 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' NE2' HG13 ' A' ' 21' ' ' VAL . 46.6 mt-30 -67.38 -59.62 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 91' ' ' LEU . 5.3 mt -72.44 -12.24 61.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 58.6 mm-40 58.15 45.44 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 19.3 mt -116.23 141.83 28.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.547 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -74.96 133.0 16.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.8 mt -49.1 -53.55 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -46.94 -24.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 22.9 m-20 -98.24 -46.87 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 19.8 mt-30 -52.19 139.88 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 42.5 m -135.18 110.02 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -90.25 131.29 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -162.37 128.76 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 p -89.57 45.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -150.61 123.15 8.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.97 -23.27 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.425 ' OD1' ' CD2' ' A' ' 58' ' ' LEU . 3.1 m-80 -52.89 -27.61 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -51.44 -43.74 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 13.2 mt -68.03 -23.68 65.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.63 -33.17 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.11 124.78 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.34 -28.99 7.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.65 162.06 23.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.26 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -27.37 60.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.55 -45.09 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -54.21 -18.51 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.83 -14.11 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -91.76 94.99 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -119.64 31.38 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.14 -18.01 59.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 81.3 mtp -142.86 44.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.88 -23.83 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.52 124.55 85.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.44 15.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -88.76 0.49 56.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -86.86 145.49 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 53.5 mtt180 -104.43 149.17 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.482 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 25.8 pt -67.96 -9.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.1 p -66.6 -19.71 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -71.6 -23.11 61.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.24 -9.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.59 63.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -97.87 116.33 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.7 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 5.3 t-160 -60.99 103.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.53 -25.78 5.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -55.88 167.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -108.94 144.82 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' ARG . 46.2 t -148.64 156.96 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.8 m-85 -125.44 137.95 54.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' HD13 ' A' ' 41' ' ' LEU . 22.1 tp -119.65 124.37 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . . . -119.25 119.65 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -140.0 158.19 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 3.5 pt-20 -99.01 142.67 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.62 159.55 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 178.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -79.59 159.24 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.8 p -70.44 -165.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 mt -91.96 140.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -68.52 140.85 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.6 151.94 8.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.4 m -140.59 155.81 46.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.76 104.07 2.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 t 72.9 106.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -98.5 109.76 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -123.38 90.45 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -174.0 113.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.55 77.33 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -69.71 150.71 46.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.34 101.57 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 m -109.34 128.24 54.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttp -110.22 133.18 53.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -111.68 163.67 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -107.99 108.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -102.73 112.86 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -88.47 124.47 34.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 p -131.0 164.98 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -41.77 -58.1 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -41.06 -46.9 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.16 -113.64 0.53 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 tp -132.13 106.67 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -100.9 156.6 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.41 155.5 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 HG13 ' NE2' ' A' ' 40' ' ' GLN . 51.8 t -147.8 153.94 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -99.66 133.72 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.71 -165.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.8 m-20 -104.65 -62.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 172.59 -155.19 22.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.75 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.79 -17.86 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -95.0 155.96 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -109.23 170.22 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.6 t -50.29 -38.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -48.79 72.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -69.1 -35.33 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 37' ' ' ILE . 4.5 tp -61.53 -53.35 57.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.553 ' CG ' HD21 ' A' ' 50' ' ' LEU . 37.2 mttt -55.34 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.1 m -33.45 -43.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 12.6 mt -59.27 -68.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 33' ' ' LEU . 1.5 mp -56.28 -40.98 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.37 -37.51 48.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.0 t0 -86.21 -63.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.425 ' NE2' HG13 ' A' ' 21' ' ' VAL . 28.1 mt-30 -45.86 -55.32 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 37' ' ' ILE . 11.4 mt -77.15 -18.94 57.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 74.7 mm-40 65.84 45.8 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.586 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.4 mt -123.04 142.85 39.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -75.03 127.28 10.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.7 mt -50.31 -56.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.65 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 15.8 m-20 -93.19 -43.57 8.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 9.5 mt-30 -51.26 142.81 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 92' ' ' ALA . 15.6 m -134.65 110.16 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.553 HD21 ' CG ' ' A' ' 34' ' ' LYS . 3.0 mm? -90.39 130.71 36.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.49 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 3.8 t -162.71 138.98 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.458 ' CG2' HD11 ' A' ' 81' ' ' LEU . 13.1 p -89.4 35.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.09 146.7 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -24.26 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -53.44 -21.11 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 68' ' ' PHE . 9.5 tp -53.36 -43.17 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -67.84 -21.66 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -78.14 -39.74 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.51 119.7 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -110.7 -27.27 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.1 p -91.48 157.16 42.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.71 21.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 18.6 m -88.0 -34.4 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -59.94 -47.53 85.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -57.11 -26.6 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 27.2 mt -70.5 -9.27 56.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.1 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 56' ' ' LEU . 63.0 m-85 -99.61 96.68 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -122.54 54.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.04 -30.5 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 46.6 mmm -115.09 22.68 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.55 -44.45 19.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -59.82 119.8 44.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.82 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.31 -3.88 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.9 140.15 36.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.21 156.41 16.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.7 pt -65.33 -22.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -57.43 -21.87 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.6 t -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -106.94 -14.75 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.3 74.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 1.5 mm? -97.5 119.58 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 168.56 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.51 114.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.586 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -14.36 30.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 p -55.1 174.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 11.6 tpt -124.1 147.18 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' MET . 84.7 t -153.8 152.71 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 85.7 m-85 -116.56 157.43 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.2 tp -136.03 128.59 30.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 49' ' ' THR . . . -126.93 123.97 38.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.0 p90 -137.13 158.62 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.32 150.58 25.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.56 -120.82 6.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -172.01 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -86.54 173.18 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 2.2 p -101.39 -168.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 100' ' ' ARG . 3.4 mt -92.19 148.1 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -61.46 137.6 58.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.02 -156.43 32.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.2 t -174.74 163.04 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.88 106.05 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.95 37.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 m 63.38 166.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.971 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.1 t -89.65 95.51 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -130.88 104.03 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -124.96 143.37 50.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.27 159.01 14.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -93.03 136.46 33.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.35 -58.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -86.31 -119.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -111.14 101.43 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -105.12 132.38 51.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -104.98 143.64 32.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.4 ttt85 -92.47 101.49 13.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.9 t -94.53 106.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.524 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.08 130.65 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.56 148.42 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -75.85 -24.51 55.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.87 -178.95 33.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD2' ' HG2' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -92.97 138.64 31.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.21 167.27 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -129.17 147.74 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.489 ' CG2' HG13 ' A' ' 37' ' ' ILE . 72.1 t -137.43 151.42 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 21' ' ' VAL . 6.7 t -102.0 132.44 47.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.95 -165.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 4.0 m-20 -109.25 -48.4 3.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.76 -163.21 36.99 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.17 13.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.57 -18.37 11.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -87.39 147.84 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.3 p -104.35 166.28 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -45.94 -38.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 p -55.09 -48.84 73.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.35 -33.27 72.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.605 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 2.0 tt -64.5 -59.05 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' CG ' HD22 ' A' ' 50' ' ' LEU . 31.1 mttt -47.08 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 m -37.18 -56.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -43.47 -67.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.605 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.4 mp -57.53 -52.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -42.02 -33.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -90.56 -65.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' NE2' HG11 ' A' ' 21' ' ' VAL . 30.1 mt-30 -44.63 -54.72 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' ILE . 8.9 mt -78.11 -22.25 49.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 69.86 55.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.522 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 47.4 mt -132.73 142.94 46.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.97 127.45 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' GLN . 5.0 mt -50.0 -56.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.54 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ILE . 37.3 m-20 -92.99 -43.25 9.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 9.3 mt-30 -52.71 138.17 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' ALA . 99.0 m -135.06 107.94 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 HD22 ' CG ' ' A' ' 34' ' ' LYS . 2.3 mm? -85.67 141.8 29.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 t -162.69 136.9 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 p -89.25 21.72 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -128.16 136.15 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -15.85 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 58' ' ' LEU . 86.6 m-20 -60.86 -16.95 47.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.524 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -64.61 -13.59 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 35.5 mt -86.08 -34.99 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -58.15 123.7 16.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -111.36 -29.39 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -98.97 172.45 4.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.99 -47.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -53.65 -34.4 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -63.68 -48.75 75.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 92' ' ' ALA . 14.1 m-85 -62.52 -20.13 64.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 73.8 mt -73.64 -10.61 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -28.39 54.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -100.62 120.34 39.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.9 p -149.53 41.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -38.91 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 mtp -121.44 48.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.81 -32.56 16.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.84 122.32 86.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -17.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.76 -0.42 57.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 141.06 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -92.51 156.67 17.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.4 pt -75.46 -9.89 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 p -68.19 -23.22 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.7 t -60.93 -28.73 69.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' HD21 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -107.25 -23.44 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.58 54.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -79.43 100.63 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.85 172.55 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 7' ' ' GLY . 3.0 t-160 -60.03 110.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.35 -15.85 24.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -49.3 168.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.2 tpt -107.93 143.78 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' N ' ' HG3' ' A' ' 88' ' ' MET . 5.7 t -152.1 142.83 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.492 ' CD1' HD11 ' A' ' 57' ' ' LEU . 65.3 m-85 -115.5 131.96 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.87 140.78 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -138.54 121.03 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.4 p90 -140.15 161.33 37.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.7 pt-20 -101.95 145.2 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.89 173.98 16.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.46 -176.57 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -81.22 179.19 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 p -102.23 -170.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.43 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mt -89.8 132.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.1 164.53 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.24 158.5 23.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.6 t -160.49 93.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.6 157.36 29.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 117.39 4.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -174.31 114.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.4 m -100.72 88.01 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 0.0 111.042 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -122.94 -60.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.68 114.91 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.74 91.4 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -101.13 139.39 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -122.95 -63.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.12 -118.11 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -100.87 117.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.18 126.68 53.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' CD1' ' OG ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -106.67 131.79 53.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -87.81 99.17 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.498 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 38.4 t -98.9 145.13 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -117.16 127.85 54.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 158.64 29.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -54.76 -25.83 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -79.21 -24.51 43.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.38 173.39 14.91 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 tp -73.82 124.17 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -123.36 171.41 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 44.2 mmt-85 -112.65 158.65 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 37' ' ' ILE . 40.2 t -154.02 146.15 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' HG12 ' A' ' 21' ' ' VAL . 5.7 t -101.83 132.0 47.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.52 -164.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.5 m-20 -117.69 -43.87 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.83 -166.63 37.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.22 13.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.441 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -56.62 -18.28 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -86.5 159.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -118.05 165.25 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 82.6 t -44.63 -37.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.4 p -54.71 -51.81 64.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.91 -30.45 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' LEU . 1.8 tp -68.58 -68.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HD2' ' CG1' ' A' ' 30' ' ' VAL . 38.4 mttt -41.13 -46.03 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -54.75 -45.04 74.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.8 mt -57.29 -66.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 21' ' ' VAL . 2.2 mp -54.39 -35.09 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.15 -32.59 71.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.92 -55.07 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.04 -56.37 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 91' ' ' LEU . 6.1 mt -79.64 -9.27 59.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.4 mm-40 57.81 53.37 7.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.555 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 34.1 mt -128.13 142.74 45.49 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.97 129.31 12.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 47' ' ' ASN . 8.2 mt -49.72 -52.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -45.77 -24.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.9 m-20 -98.4 -43.51 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 mt-30 -54.41 137.97 41.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 m -134.95 99.53 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 HD13 ' CE ' ' A' ' 71' ' ' MET . 5.0 mt -86.26 140.67 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.466 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.3 t -162.17 153.63 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -98.58 34.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -145.2 143.12 30.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -31.52 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -50.53 -28.33 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -59.63 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 90' ' ' TYR . 15.6 mt -79.98 -3.35 47.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.72 -33.77 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.86 117.4 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -110.93 -27.68 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 164.59 28.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.92 -26.73 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.31 -48.61 55.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -53.24 -20.26 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 26.4 mt -74.43 -13.37 60.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.01 -19.51 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.3 m-85 -115.62 98.92 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -123.92 54.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -26.61 13.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 50' ' ' LEU . 10.3 mmm -126.82 19.07 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.17 -27.41 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -72.23 119.51 75.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -18.1 19.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.17 5.48 51.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 137.9 31.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -97.78 144.15 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.9 pt -58.74 -18.37 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -65.93 -34.9 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -50.23 -27.44 5.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -106.37 -21.11 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 20.7 t30 77.88 63.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 81' ' ' LEU . 65.3 mt -101.09 114.94 29.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -120.54 167.66 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -46.07 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 135.34 -28.61 3.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' OG ' ' CD1' ' A' ' 10' ' ' LEU . 15.6 p -46.55 160.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -109.31 146.26 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.498 ' CG1' ' CG2' ' A' ' 12' ' ' VAL . 8.0 p -152.57 152.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.4 m-85 -120.42 141.66 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 41' ' ' LEU . 14.2 tp -125.91 121.09 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . . . -121.47 120.09 33.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -132.52 156.05 47.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.89 133.75 35.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.32 -176.24 50.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.87 -177.43 6.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.357 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 41' ' ' LEU . 2.4 mtt85 -80.33 -163.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.8 p -122.68 -174.7 2.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 mt -81.2 140.62 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 164.56 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -122.89 92.11 0.46 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -61.52 164.15 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.41 80.03 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.0 p -97.11 119.74 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.1 p -72.21 134.89 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -169.57 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.01 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -73.25 141.34 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.48 -162.3 9.57 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.52 116.7 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -75.21 81.69 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.58 178.64 24.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.127 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 m -102.03 106.25 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 10' ' ' LEU . 4.6 ttp -88.23 141.62 28.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' N ' ' HG2' ' A' ' 9' ' ' MET . 13.8 mt -124.66 149.64 46.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 7.7 mtt180 -108.46 101.32 10.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.529 ' CG1' HG11 ' A' ' 89' ' ' VAL . 9.0 m -94.01 154.79 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -116.19 124.52 50.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.7 p -118.6 171.88 7.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -67.43 -26.22 66.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -82.96 -21.4 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.72 -170.92 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' CD2' ' HD3' ' A' ' 11' ' ' ARG . 4.1 tp -83.57 126.82 33.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -121.18 149.24 43.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -118.54 155.17 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 22' ' ' SER . 44.8 t -153.59 145.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.427 ' N ' HG11 ' A' ' 21' ' ' VAL . 6.3 t -92.41 134.67 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 m -124.41 -165.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -103.98 -58.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.63 -154.81 25.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.57 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.74 -18.09 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -94.75 160.41 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.3 p -111.0 169.37 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 24.9 t -51.21 -36.06 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -56.13 -51.97 66.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.51 -37.27 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 78' ' ' ILE . 2.3 tt -58.22 -56.75 18.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' CE ' HD21 ' A' ' 50' ' ' LEU . 27.1 mttt -52.89 -68.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.68 -50.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.12 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.3 mt -64.81 -50.46 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.03 -32.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.4 -67.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -46.62 -52.68 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' ILE . 13.0 mt -77.2 -20.64 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 65.72 48.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 55.8 mt -127.01 142.64 44.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.583 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -74.99 125.74 9.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASN . 8.3 mt -49.68 -56.63 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.58 -30.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' ILE . 22.5 m-20 -93.88 -43.58 8.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 10.7 mt-30 -50.78 144.4 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 31.5 m -135.08 104.34 5.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD21 ' CE ' ' A' ' 34' ' ' LYS . 1.7 mm? -87.48 125.07 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -158.34 141.31 14.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.2 p -89.95 34.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -135.64 145.88 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -80.52 -16.66 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.2 -25.56 67.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.525 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -49.99 -46.04 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 mt -56.25 -27.7 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.37 -47.22 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . . . -43.13 110.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -22.61 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.03 163.84 23.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -24.67 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -81.0 -31.99 34.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -61.85 -46.81 87.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 59' ' ' ALA . 11.8 m-85 -57.13 -23.79 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 22.3 mt -73.98 -15.18 61.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.54 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 85.1 m-85 -96.07 101.12 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -121.63 34.44 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -38.15 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.48 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 47.2 mtp -132.2 45.56 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.52 -36.18 22.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.18 119.64 73.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.39 20.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -94.94 3.66 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 140.02 29.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -92.02 147.33 23.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.415 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.5 pt -60.56 -17.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.6 p -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -52.31 -29.45 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -110.16 -19.36 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 t30 63.83 55.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -75.8 97.78 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -88.63 174.31 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -64.2 96.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.13 -20.51 4.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 63.7 m -45.83 164.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 1.8 tpt -114.71 145.08 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.529 HG11 ' CG1' ' A' ' 12' ' ' VAL . 9.7 p -153.39 159.21 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.5 m-85 -125.08 131.52 53.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 34.2 tp -112.24 111.67 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -116.23 120.11 37.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -132.31 175.22 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.9 pt-20 -115.58 138.21 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.36 -173.51 53.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.71 -177.29 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -84.51 161.45 20.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 p -80.29 -168.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 mt -100.83 122.04 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 152.64 6.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.54 167.42 18.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 t -132.73 121.09 22.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.23 126.75 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.06 122.88 17.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 t -76.84 133.25 39.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -89.25 -51.04 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 p -134.15 -53.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.04 157.98 8.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -70.4 143.47 51.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -125.93 163.71 22.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . 129.03 -78.47 0.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 m -118.79 114.38 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.446 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 3.1 ttp -112.35 131.48 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.14 56.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 2.6 ttt180 -80.62 118.39 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 69.8 t -114.19 108.56 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.98 125.86 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -116.26 161.93 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -65.73 -17.14 64.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.9 -13.59 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.09 -154.87 25.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' CD1' ' HG2' ' A' ' 11' ' ' ARG . 2.4 tp -110.07 129.64 55.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.37 158.49 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 143.0 51.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 37' ' ' ILE . 48.9 t -131.46 147.49 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.7 t -98.52 132.64 43.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -117.18 -165.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . 52.8 m-20 -108.1 -42.35 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 161.2 -164.06 34.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.459 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -55.7 -18.36 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.569 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.3 pp -86.82 163.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -118.75 169.91 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 56.0 t -49.09 -38.43 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -53.66 -50.32 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.14 -38.5 75.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 37' ' ' ILE . 7.5 tp -57.9 -56.29 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' CG ' HD23 ' A' ' 50' ' ' LEU . 53.2 mttt -53.41 -68.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LYS . 16.2 m -34.63 -50.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.65 -60.17 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 33' ' ' LEU . 2.9 mp -64.36 -49.5 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -46.14 -31.72 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 t0 -90.77 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.95 -55.67 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 9.6 mt -77.81 -17.78 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 54.6 mm-40 64.98 55.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 93' ' ' TYR . 17.9 mt -131.56 141.97 43.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.95 129.17 12.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -47.22 -59.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.9 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -92.37 -45.79 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.493 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 13.5 mt-30 -50.58 140.48 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 47.9 m -133.73 113.53 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.532 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.5 mm? -94.42 130.68 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -162.53 147.81 12.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -103.03 36.5 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 10.4 t-20 -134.85 141.75 46.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -21.26 61.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.57 -17.0 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.66 -44.05 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.72 -24.29 67.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.37 -47.76 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.5 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -47.21 119.29 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -111.16 -28.76 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -99.04 174.54 3.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -54.76 -39.38 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.73 -45.77 91.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.5 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 11.4 m-85 -63.63 -25.52 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -68.33 -16.33 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.78 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -93.74 111.39 23.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.6 p -140.67 47.76 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.54 -42.46 20.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 81' ' ' LEU . 29.5 mtp -119.67 56.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.74 -24.1 16.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.3 121.24 83.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.51 19.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -96.01 9.96 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.63 143.25 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 151.58 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.3 pt -68.59 -24.64 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -21.93 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 1.6 mt -93.22 -3.35 53.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 61.88 65.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -101.05 128.8 46.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -123.95 175.96 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 9' ' ' MET . 9.8 t-160 -67.13 71.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 147.51 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -112.19 167.34 10.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.424 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 3.3 tpt -105.93 143.71 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 88' ' ' MET . 75.4 t -154.2 152.05 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 86.1 m-85 -120.13 128.3 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 15.8 tp -113.09 119.44 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 49' ' ' THR . . . -119.59 122.57 41.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 43' ' ' ILE . 3.4 p90 -137.55 168.05 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.4 pt-20 -116.11 150.51 37.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 96' ' ' GLU . . . 70.07 25.43 75.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 44.1 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.259 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.92 -166.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -122.08 -168.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 mp -80.77 145.02 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 153.04 47.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -111.69 -145.47 9.97 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.0 p -134.05 164.96 26.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.28 176.16 21.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.27 42.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -178.81 128.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.7 p -96.23 142.38 28.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -148.28 -58.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -173.91 164.29 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 -104.02 0.18 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.37 157.43 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -124.59 134.13 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.89 -96.76 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -131.03 128.05 39.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ttp -98.52 136.84 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.12 158.64 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -111.9 105.25 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.5 m -93.31 155.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.576 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -124.69 122.77 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 170.55 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -72.02 -15.08 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.46 -24.02 19.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.53 168.43 16.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tp -72.82 122.73 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' VAL . 21.6 mt-10 -118.89 153.2 34.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -118.52 145.89 44.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 22' ' ' SER . 59.6 t -137.23 145.91 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . 7.2 t -98.09 131.3 44.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -129.08 -167.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' C ' ' NE2' ' A' ' 27' ' ' HIS . 1.6 m-20 -103.04 -45.0 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 158.68 -149.85 20.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -31.96 5.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -45.54 -24.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -91.53 152.83 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.1 p -110.4 168.96 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 72.1 t -48.61 -38.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -55.73 -53.01 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.02 -31.12 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 37' ' ' ILE . 6.6 tp -67.8 -58.08 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.546 ' CG ' HD23 ' A' ' 50' ' ' LEU . 31.8 mttt -49.49 -47.4 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -52.2 -39.7 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.7 mt -64.42 -69.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.496 HG21 ' CD1' ' A' ' 41' ' ' LEU . 3.1 mt -54.9 -19.85 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.15 -33.98 63.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.74 -40.6 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.34 -60.61 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 37' ' ' ILE . 15.4 mt -80.7 -2.28 46.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 31.6 mm-40 52.71 51.73 15.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.561 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 70.1 mt -123.62 144.42 44.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 133.95 17.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 7.3 mt -55.77 -58.39 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -39.36 -29.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ILE . 18.5 m-20 -91.11 -45.78 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 45' ' ' ILE . 22.0 mt-30 -47.62 137.14 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 24.3 m -135.52 106.09 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.546 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.2 mm? -85.12 136.92 33.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 3.7 t -159.45 128.24 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 22.6 p -88.48 38.07 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.39 126.61 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -58.33 -20.52 44.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.2 m-20 -55.78 -22.96 27.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -52.54 -47.57 66.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.3 -20.53 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.48 -31.84 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.31 120.78 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -112.33 -28.6 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -84.65 157.5 60.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.11 19.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -84.88 -31.62 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.03 -44.95 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.455 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.0 m-85 -53.6 -22.68 9.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -80.24 -18.37 49.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 55' ' ' ASN . 71.1 m-85 -98.42 94.92 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.8 p -120.32 44.95 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.73 -31.35 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 92.4 mtp -128.38 37.16 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.3 -30.47 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.83 123.86 88.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.1 18.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.83 1.21 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.16 145.73 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 77' ' ' ARG . 4.8 mpt_? -104.79 151.17 24.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.482 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 5.3 pt -67.34 -9.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -67.08 -25.14 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -63.61 -27.74 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -95.79 -22.31 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 74.36 33.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.54 101.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.49 171.69 9.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -58.52 100.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.07 24.27 7.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.3 p -72.72 -175.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 4.7 tpt -123.02 142.03 51.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' ARG . 83.1 t -154.35 160.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.7 m-85 -126.42 132.81 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.7 tp -111.79 117.23 32.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -117.69 125.42 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.6 p90 -143.75 171.8 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.64 136.42 52.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.61 176.5 49.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.31 -175.84 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -85.66 165.02 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.1 p -81.09 -167.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.13 146.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -119.39 150.82 39.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.79 172.45 13.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.6 t 64.19 135.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.28 -146.52 16.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.62 13.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.3 p -110.47 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.94 142.22 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.66 152.65 18.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -83.45 107.28 15.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.31 110.38 0.98 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -101.65 120.57 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -93.8 134.63 35.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.35 91.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -82.3 110.67 17.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -79.81 148.91 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -134.07 166.31 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -108.78 111.86 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.66 100.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' HB2' ' CE ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -80.02 123.2 27.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 p -121.34 155.43 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -55.27 -22.71 19.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -39.29 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.58 168.67 29.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.78 103.62 5.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -105.19 160.44 15.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -121.88 152.75 39.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' CG1' ' CD ' ' A' ' 40' ' ' GLN . 47.8 t -150.51 146.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 21' ' ' VAL . 8.3 t -91.78 145.35 24.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 m -132.91 -165.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.4 m-20 -103.2 -62.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 171.61 -158.01 28.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.505 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.84 -17.62 9.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.589 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -93.31 166.62 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -120.6 165.76 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.13 -36.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -55.41 -56.83 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.02 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 7.8 tp -64.76 -51.15 63.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 50' ' ' LEU . 27.8 mttt -55.18 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.75 -46.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.0 mt -55.15 -70.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 2.1 mp -55.84 -41.25 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.63 -33.52 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -58.76 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' CD ' ' CG1' ' A' ' 21' ' ' VAL . 29.2 mt-30 -50.3 -55.49 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 37' ' ' ILE . 11.0 mt -79.27 -16.0 57.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 64.81 53.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 93' ' ' TYR . 29.0 mt -128.98 141.97 43.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.2 Cg_endo -74.99 130.6 13.43 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.3 mt -48.29 -58.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.17 -30.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 29.5 m-20 -92.2 -45.01 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 13.8 mt-30 -54.17 137.7 40.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 m -134.59 114.97 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 34' ' ' LYS . 2.4 mm? -91.95 135.38 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.479 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.6 t -163.02 153.42 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.407 ' CG2' HD13 ' A' ' 81' ' ' LEU . 1.2 p -102.93 33.62 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.2 146.82 39.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -79.52 -18.42 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.39 -15.86 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 ' CD1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -64.23 -43.98 93.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 33.3 mt -55.44 -20.68 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.99 -46.32 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' O ' ' CE1' ' A' ' 65' ' ' PHE . . . -49.19 110.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -24.95 10.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 p -92.65 155.0 42.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -95.44 -23.54 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -81.69 -42.9 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.504 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 14.6 m-85 -54.88 -18.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.49 -14.46 59.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.47 60.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.2 m-85 -103.52 101.1 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 p -123.75 60.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 -28.6 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.1 mmm -129.69 33.57 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.12 -45.03 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -56.78 120.14 35.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.14 18.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -89.49 -6.99 55.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.36 141.02 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -98.9 152.22 20.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -64.35 -14.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -63.43 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.4 t -61.52 -34.2 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.3 OUTLIER -104.64 -12.04 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.6 m120 62.22 69.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.24 122.6 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.49 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -50.59 110.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.48 -26.52 9.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 m -48.28 169.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.1 tpt -121.34 144.5 48.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 88' ' ' MET . 97.2 t -154.2 156.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 87.5 m-85 -118.6 159.93 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ARG . 22.2 tp -145.25 121.13 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 56' ' ' LEU . . . -122.67 119.93 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 43' ' ' ILE . 3.8 p90 -134.55 177.0 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.5 pt-20 -123.06 158.38 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLU . . . 64.04 30.24 77.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.2 pt-20 39.98 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -82.32 165.55 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -83.31 -167.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.7 152.0 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.3 155.69 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.63 141.0 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -178.59 125.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -110.88 154.83 16.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.21 37.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.9 p -156.54 114.52 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.8 p -60.56 137.97 58.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -75.11 147.58 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -106.32 93.23 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.71 69.84 1.08 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -78.37 154.14 31.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 t -124.04 -57.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.35 -127.2 41.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -129.49 112.64 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 9' ' ' MET . 12.2 tmm? -96.11 139.08 32.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -122.98 157.92 31.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.64 110.17 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -105.53 97.95 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 p -123.34 154.25 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.61 -36.26 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.28 -33.7 74.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.6 -172.77 37.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 2.2 tm? -90.85 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -138.23 157.15 46.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -116.24 141.94 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' CG2' HG13 ' A' ' 37' ' ' ILE . 99.6 t -134.62 147.49 29.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.6 t -98.39 132.25 44.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 m -125.38 -167.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.0 m-20 -104.89 -64.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 177.05 -155.32 17.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.581 1.176 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.69 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.796 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.43 -17.92 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.503 HG21 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.38 161.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -116.58 171.46 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 67.5 t -50.07 -37.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -54.46 -54.42 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -66.01 -30.59 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' CD2' ' CD1' ' A' ' 37' ' ' ILE . 1.8 tt -65.61 -54.93 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' CE ' HD23 ' A' ' 50' ' ' LEU . 35.6 mttt -55.71 -65.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.5 m -36.06 -44.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.56 -70.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.557 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 1.5 mp -54.01 -37.79 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.87 -32.2 67.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.98 -54.64 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.3 -55.26 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 37' ' ' ILE . 15.3 mt -79.31 -14.46 58.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 51.9 mm-40 63.01 55.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.522 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 45.5 mt -132.18 142.73 46.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -75.05 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -48.99 -57.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.27 -29.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 23.8 m-20 -94.24 -42.74 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HG2' ' CG2' ' A' ' 43' ' ' ILE . 10.4 mt-30 -51.48 142.26 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ALA . 18.0 m -134.82 105.33 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.1 mm? -89.12 130.85 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.43 ' CB ' HD13 ' A' ' 56' ' ' LEU . 6.3 t -161.43 139.64 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.41 ' CG2' HD12 ' A' ' 81' ' ' LEU . 17.9 p -88.9 35.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 134.37 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -74.81 -13.53 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -71.39 -9.28 57.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD13 ' CB ' ' A' ' 51' ' ' SER . 12.4 tp -62.87 -46.69 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.512 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 9.9 mp -55.43 -21.06 14.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.75 -36.87 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -53.85 120.85 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.6 -32.12 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -97.68 175.05 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -74.08 -32.02 63.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -74.78 -20.75 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 61' ' ' SER . 12.5 m-85 -90.24 -34.33 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.68 -28.55 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -20.82 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.85 97.18 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 22.6 p -121.91 68.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -98.99 -40.57 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.481 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 56.9 mtp -122.72 42.25 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.68 -41.03 24.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.15 119.09 49.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.33 19.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -94.45 7.93 43.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.89 140.99 29.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.29 151.48 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 pt -64.32 -17.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -63.54 -24.97 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -53.4 -36.36 61.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -106.75 -11.59 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.79 69.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 81' ' ' LEU . 2.4 mm? -91.07 104.07 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.31 172.95 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.613 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -22.32 22.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -44.98 168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.1 tpt -111.98 145.06 40.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' N ' ' HG3' ' A' ' 88' ' ' MET . 61.7 t -151.69 150.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.51 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 94.6 m-85 -123.32 138.83 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.69 151.24 41.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' THR . . . -150.35 131.87 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -143.35 160.08 41.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.7 OUTLIER -98.98 136.31 39.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 90.31 -127.19 8.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.15 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -80.47 167.13 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 p -94.33 -169.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.09 138.69 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.81 144.16 55.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.52 -171.66 44.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 t -146.63 -61.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.84 173.33 18.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.9 t -89.21 159.23 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.3 p -106.56 139.36 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 1.6 ttp -127.82 138.07 52.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 17.6 mt -123.12 156.22 35.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' SD ' ' A' ' 88' ' ' MET . 15.7 mtt180 -107.19 106.81 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -96.99 147.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.817 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.97 123.92 46.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.66 173.78 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.32 -27.14 63.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -78.25 -29.25 48.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.35 169.25 19.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.36 125.05 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 24.3 mt-10 -122.05 167.92 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -131.39 148.44 52.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.798 HG21 ' CG1' ' A' ' 37' ' ' ILE . 98.4 t -136.01 149.16 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD13 ' A' ' 36' ' ' LEU . 5.9 t -96.14 133.49 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.7 m -127.14 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.712 ' OD2' HG21 ' A' ' 28' ' ' ILE . 2.4 m-20 -109.13 -50.77 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.61 -161.47 34.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.95 -24.57 12.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.63 -17.79 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.626 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 ' OD2' ' A' ' 24' ' ' ASP . 1.2 pp -87.82 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -108.48 166.88 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.825 ' CG2' HD23 ' A' ' 76' ' ' LEU . 70.7 t -48.45 -37.74 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -56.26 -44.47 79.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.93 -32.99 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.5 tp -63.67 -69.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.818 ' HE3' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -41.68 -46.54 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -53.91 -44.69 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 22' ' ' SER . 18.1 mt -59.14 -52.6 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.798 ' CG1' HG21 ' A' ' 21' ' ' VAL . 1.4 mp -67.46 -22.48 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 tt0 -78.06 -27.9 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -95.14 -14.45 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.572 ' NE2' HG13 ' A' ' 21' ' ' VAL . 67.6 mt-30 -103.2 -60.79 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.604 HD12 HD22 ' A' ' 91' ' ' LEU . 20.9 mt -77.62 -6.29 53.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 55.1 mm-40 57.22 31.95 20.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.762 HG23 ' HD2' ' A' ' 44' ' ' PRO . 89.3 mt -102.94 143.43 26.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 144.43 30.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.43 -30.27 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 10.6 p-80 -70.37 -6.57 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 38.4 m-20 -117.98 -41.2 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.624 ' HG3' HG22 ' A' ' 43' ' ' ILE . 36.2 mt-30 -46.37 135.35 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 28.3 m -135.18 101.92 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.818 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.0 mm? -85.61 142.27 29.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 56' ' ' LEU . 7.9 t -163.39 134.94 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.853 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.9 p -90.71 31.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.54 137.84 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -71.45 -10.32 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' HD12 ' A' ' 58' ' ' LEU . 17.4 m-20 -66.05 -12.93 58.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 51' ' ' SER . 17.8 tp -67.81 -31.84 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.817 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -72.33 -5.93 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.512 HD12 ' OD1' ' A' ' 55' ' ' ASN . 35.4 mt -91.5 -42.21 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -52.81 121.52 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -110.65 -28.88 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.86 175.02 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.1 Cg_endo -75.02 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -56.64 -39.38 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.762 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t0 -55.45 -48.56 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 10.8 m-85 -61.52 -28.73 69.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 63' ' ' SER . 56.6 mt -66.77 -11.07 53.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.45 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 61.5 m-85 -96.23 100.08 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -124.27 53.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.89 -35.09 8.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 81' ' ' LEU . 69.6 mtp -124.1 45.51 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.07 -36.75 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 34.4 t70 -65.56 124.21 86.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.2 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.8 -7.13 47.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.825 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -75.68 143.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -101.39 147.64 26.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 19.6 pt -60.84 -24.08 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -20.63 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 t -59.31 -34.5 72.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.853 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -105.31 -17.51 14.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.47 75.05 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.3 mm? -99.75 118.06 35.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -110.79 170.69 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -60.7 84.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 150.5 -34.91 0.96 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLY . 15.5 m -41.59 163.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 11' ' ' ARG . 7.7 tpp -117.4 151.31 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' ARG . 55.2 t -149.45 163.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.0 m-85 -125.19 124.85 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.604 HD22 HD12 ' A' ' 41' ' ' LEU . 14.3 tp -98.52 155.22 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -157.51 120.26 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.462 ' CD1' HD13 ' A' ' 43' ' ' ILE . 37.3 p90 -133.1 156.38 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.72 147.82 23.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.99 -119.57 8.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.98 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -163.71 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -117.5 149.79 40.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.6 mt -130.76 149.98 52.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.697 ' HD3' HD21 ' A' ' 18' ' ' LEU . 4.7 mtt180 -107.85 101.68 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.6 m -90.94 155.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.99 124.1 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 p -120.85 162.58 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -49.84 -41.3 44.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -61.47 -44.44 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.11 -129.56 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 12' ' ' VAL . 2.0 tp -123.81 131.48 53.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 12' ' ' VAL . 27.6 mt-10 -123.39 159.81 28.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 148.99 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.801 HG21 HG13 ' A' ' 37' ' ' ILE . 36.2 t -142.96 155.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -99.05 134.41 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.3 m -124.61 -166.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.901 ' OD1' HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -103.66 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . -176.1 -162.55 27.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HA ' HD11 ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.01 -24.65 12.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.04 -18.16 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.901 HG21 ' OD1' ' A' ' 24' ' ' ASP . 1.2 pp -89.08 151.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -104.03 170.84 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.653 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.7 t -52.06 -39.27 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -43.09 71.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -72.08 -33.09 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 37' ' ' ILE . 2.9 tt -65.78 -73.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HD2' HG13 ' A' ' 30' ' ' VAL . 1.6 mttt -39.94 -43.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -55.44 -48.3 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 23' ' ' VAL . 11.4 mt -57.96 -59.23 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.801 HG13 HG21 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.86 -29.26 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -69.78 -23.74 63.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.72 -35.28 12.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.522 ' CD ' HG13 ' A' ' 21' ' ' VAL . 59.6 mt-30 -83.2 -59.66 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 55.5 58.97 4.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.634 HG22 ' HG2' ' A' ' 48' ' ' GLN . 37.6 mt -135.35 141.89 39.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.99 125.85 9.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -49.66 -56.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.68 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ILE . 31.8 m-20 -93.88 -41.44 9.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.634 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.6 mt-30 -55.03 138.21 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.929 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 98.0 m -135.57 98.82 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 ' HE1' ' A' ' 71' ' ' MET . 15.6 mt -85.47 142.0 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 56' ' ' LEU . 4.9 t -162.47 141.69 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 81' ' ' LEU . 2.0 p -89.7 35.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.86 126.0 15.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.68 -15.73 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -64.24 -14.58 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.851 HD21 ' O ' ' A' ' 49' ' ' THR . 23.2 tp -65.43 -32.73 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 13' ' ' ARG . 10.7 mt -70.66 -7.5 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.08 -42.49 12.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.713 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.23 118.77 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.58 -26.41 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -95.33 175.28 2.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.05 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.879 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -58.76 -34.54 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.713 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.7 t0 -59.76 -45.41 92.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -66.4 -19.37 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -76.64 -17.07 59.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.99 69.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HE1' ' HB2' ' A' ' 59' ' ' ALA . 70.9 m-85 -90.73 91.76 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.2 p -115.67 59.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -39.38 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.586 ' O ' HG11 ' A' ' 30' ' ' VAL . 83.3 mtp -127.48 33.87 4.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.1 -34.48 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.0 t70 -68.67 122.89 86.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -18.61 18.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -90.26 -1.94 57.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.653 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -83.13 136.26 34.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -94.55 152.45 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 26' ' ' PRO . 2.4 pt -65.39 -20.01 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -66.88 -13.79 62.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -65.9 -32.31 73.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -107.57 -16.42 14.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.2 t30 71.75 61.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 mm? -87.44 107.06 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.54 171.3 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.29 108.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.578 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.03 -10.26 13.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -57.48 173.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.553 ' HE1' HD13 ' A' ' 18' ' ' LEU . 5.7 tpt -113.1 145.34 41.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' A' ' 88' ' ' MET . 33.9 t -151.8 155.0 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.0 130.77 53.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.49 155.21 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.929 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -151.39 126.59 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.6 p90 -145.49 147.65 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.3 pt-20 -90.99 135.18 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.24 176.06 37.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.102 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.86 -172.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -88.26 165.13 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.2 ttp -127.45 133.29 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.16 156.06 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -103.86 121.27 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 37' ' ' ILE . 78.9 t -107.94 95.44 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -83.51 128.71 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.507 ' O ' HD21 ' A' ' 57' ' ' LEU . 86.7 p -109.37 176.73 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 9.4 mtp-105 -34.64 -59.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -140.51 37.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.15 109.5 0.5 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -100.19 97.37 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.97 167.03 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.14 153.44 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG21 ' CG1' ' A' ' 37' ' ' ILE . 43.8 t -137.52 145.29 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -98.62 133.32 43.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.038 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -122.56 -165.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 55.5 m-20 -105.27 -37.33 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 155.33 -157.16 27.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.51 11.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -55.1 -18.24 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -88.99 151.68 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -107.54 171.77 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 71' ' ' MET . 54.3 t -52.66 -38.49 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -55.4 -45.99 76.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -72.27 -30.43 64.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.65 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.65 -51.3 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -48.73 -45.8 40.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.7 mt -57.48 -70.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.886 ' CG1' HG21 ' A' ' 21' ' ' VAL . 4.6 mt -51.62 -33.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -61.65 -29.49 70.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 2.6 t70 -92.09 -57.83 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.663 ' NE2' HG13 ' A' ' 21' ' ' VAL . 38.4 mt-30 -53.53 -58.15 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.5 mt -76.86 -12.26 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.8 mm-40 59.42 54.73 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 44' ' ' PRO . 42.3 mt -128.42 142.07 43.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 132.99 16.07 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.5 mt -48.86 -58.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.26 -28.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 16.2 m-20 -93.93 -46.21 7.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.758 ' OE1' HG22 ' A' ' 37' ' ' ILE . 17.7 mt-30 -53.44 132.38 39.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.765 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.9 m -135.04 100.44 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 33' ' ' LEU . 15.7 mt -86.01 143.36 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.697 ' HB3' HD22 ' A' ' 56' ' ' LEU . 11.8 t -162.37 144.62 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.76 HG21 HD13 ' A' ' 81' ' ' LEU . 6.1 p -90.88 22.58 3.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -126.87 112.44 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.48 -19.52 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 14.6 m-80 -61.1 -16.72 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 51' ' ' SER . 25.2 tp -59.3 -46.43 88.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 14' ' ' SER . 11.1 mp -53.52 -23.05 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -72.89 -49.28 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.693 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -41.22 122.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -110.02 -29.68 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.94 172.98 4.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.769 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.9 p -61.85 -33.21 73.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.653 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -60.26 -45.21 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 14.7 m-85 -65.05 -22.95 67.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 63' ' ' SER . 77.9 mt -71.27 -17.03 62.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.32 63.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.82 99.81 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -126.34 65.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -28.1 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 81' ' ' LEU . 78.3 mtp -133.2 32.18 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.64 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 44.6 t0 -63.96 123.12 80.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.35 6.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 73' ' ' ASP . 15.9 p30 -84.72 7.23 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -92.81 139.78 30.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -94.26 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 33' ' ' LEU . 16.6 pt -69.93 -23.15 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.8 p -54.77 -26.09 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.8 t -55.63 -28.79 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -110.41 -13.06 14.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 66.21 70.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 81' ' ' LEU . 92.1 mt -104.85 108.63 20.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.23 171.26 8.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.1 t60 -43.03 123.26 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.71 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -48.29 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.3 tpt -123.72 146.04 48.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' MET . 10.2 t -152.08 144.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 77.5 m-85 -112.67 159.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.734 HD12 ' H ' ' A' ' 92' ' ' ALA . 13.0 tp -131.19 157.34 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.765 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.14 120.09 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 5.4 p90 -130.47 162.64 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -103.63 136.04 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 80.65 -120.52 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.07 -175.3 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -85.32 169.15 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.453 ' C ' HD22 ' A' ' 10' ' ' LEU . 1.1 ttp -107.07 131.9 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -109.94 123.57 49.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 102.46 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.017 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.6 m -94.73 155.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -121.12 124.91 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.21 153.07 36.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -53.67 -29.04 36.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.4 -24.13 46.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.22 -176.27 32.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.01 129.28 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.9 mt-10 -125.19 151.94 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -119.96 141.22 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.778 HG21 HG13 ' A' ' 37' ' ' ILE . 92.3 t -135.96 146.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -96.5 137.4 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.13 -166.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 83.1 m-20 -105.25 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.43 -159.11 29.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.87 12.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.17 -18.2 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -93.58 162.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 28' ' ' ILE . 36.3 p -113.95 178.46 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.687 HG12 ' HD2' ' A' ' 34' ' ' LYS . 42.4 t -58.69 -37.56 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.5 p -55.1 -45.93 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -72.81 -30.35 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.9 -58.77 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.769 ' CG ' HD23 ' A' ' 50' ' ' LEU . 67.8 mttt -52.81 -47.72 67.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -51.97 -40.63 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.73 -66.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.778 HG13 HG21 ' A' ' 21' ' ' VAL . 1.7 mp -55.25 -29.65 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.42 -30.54 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.5 -41.39 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.723 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.5 mt-30 -69.64 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.687 ' CG ' HG23 ' A' ' 37' ' ' ILE . 13.4 mt -76.56 -10.2 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 60.11 52.54 5.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.0 mt -126.61 141.31 39.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.96 130.25 13.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.18 -33.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -64.59 -11.03 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 39.6 m-20 -115.98 -42.96 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.765 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.3 mt-30 -49.79 139.39 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.839 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.53 108.41 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.769 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.0 mm? -94.06 140.78 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.512 ' CB ' HD13 ' A' ' 56' ' ' LEU . 14.4 t -161.62 162.72 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.761 HG21 HD13 ' A' ' 81' ' ' LEU . 49.7 p -113.32 33.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.01 140.91 40.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -72.39 -16.74 61.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 85.0 m-20 -65.19 -12.16 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 68' ' ' PHE . 15.8 tp -56.4 -49.82 73.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.9 mp -66.31 -11.5 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.98 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.94 -26.88 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -71.18 120.71 17.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -111.32 -29.37 7.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 166.08 23.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.85 3.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 66' ' ' LEU . 41.4 m -73.17 -28.51 62.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.633 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.26 -44.25 92.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.677 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 28.0 m-85 -64.99 -18.42 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.1 mt -75.63 -3.46 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.43 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 56' ' ' LEU . 39.6 m-85 -90.49 93.39 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.6 p -112.61 44.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -49.07 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -113.39 35.95 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.85 -31.01 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -77.47 121.43 84.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -20.12 17.2 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -92.88 8.41 39.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 141.04 29.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.27 151.34 19.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 33' ' ' LEU . 5.0 pt -71.51 -16.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 t -63.73 -19.74 65.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 t -64.85 -36.26 83.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.885 HD12 HD21 ' A' ' 83' ' ' LEU . 2.8 mt -91.87 -26.23 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 27.3 t30 80.08 43.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.06 138.67 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.29 168.84 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.36 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.17 -17.04 3.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m -52.31 171.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -121.52 144.53 48.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.017 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -150.91 161.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 97.9 m-85 -125.9 131.3 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 41' ' ' LEU . 8.5 tp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.839 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -144.81 124.14 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.5 p90 -140.43 165.49 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -101.56 137.03 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.85 178.66 8.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.05 -173.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -88.82 -166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 17.0 tmm? -111.64 148.39 33.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 10' ' ' LEU . 9.3 mt -129.23 147.62 51.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -106.23 101.09 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -90.46 155.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.88 124.11 42.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 p -119.01 151.27 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -41.78 -39.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.53 -50.02 73.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.13 -129.95 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -128.5 131.67 48.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.654 ' OE1' HD22 ' A' ' 41' ' ' LEU . 23.1 mt-10 -124.02 159.7 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 147.79 47.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.832 HG21 HG13 ' A' ' 37' ' ' ILE . 35.1 t -141.02 155.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -101.22 131.98 46.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.45 -164.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.98 -62.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.73 -155.01 20.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.41 -17.99 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.57 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -91.47 167.63 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -123.76 165.36 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 71' ' ' MET . 75.5 t -48.29 -31.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.5 p -60.3 -46.4 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -75.62 -37.5 59.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' A' ' 78' ' ' ILE . 8.0 tp -59.74 -55.76 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.647 ' HD2' HG12 ' A' ' 30' ' ' VAL . 23.6 mttt -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.3 mt -55.29 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.832 HG13 HG21 ' A' ' 21' ' ' VAL . 1.9 mp -52.73 -36.57 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.05 -31.95 67.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 6.7 t70 -89.24 -59.62 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CD ' HG13 ' A' ' 21' ' ' VAL . 23.1 mt-30 -52.06 -56.25 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.786 HD12 HG23 ' A' ' 37' ' ' ILE . 13.5 mt -77.97 -10.63 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 57.75 52.56 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -126.92 142.07 42.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.6 mt -47.24 -58.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -93.58 -43.43 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.763 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.5 mt-30 -56.1 133.87 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.3 m -134.76 99.1 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.485 ' HB3' ' HE2' ' A' ' 71' ' ' MET . 9.1 mt -86.03 136.85 33.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.591 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.7 t -161.77 150.75 15.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' HD13 ' A' ' 81' ' ' LEU . 2.9 p -94.12 33.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -129.45 134.77 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -10.45 59.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.9 -12.8 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 49' ' ' THR . 12.8 tp -57.91 -42.53 84.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 13' ' ' ARG . 9.1 mp -59.93 -30.21 68.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -65.68 -50.26 65.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.67 121.33 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.74 -28.76 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.45 170.27 7.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.63 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.559 1.82 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.947 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -62.45 -31.97 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.06 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.703 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -63.1 -48.06 80.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 29.2 m-85 -62.56 -24.27 67.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' A' ' 63' ' ' SER . 71.8 mt -67.93 -11.0 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.23 -29.14 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 m-85 -100.11 104.5 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 p -126.19 50.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -96.32 -32.8 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.709 ' O ' HG11 ' A' ' 30' ' ' VAL . 7.3 mmm -123.17 31.78 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.27 -35.7 30.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.58 119.12 60.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.21 18.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -92.06 0.85 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.79 144.06 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -100.29 150.36 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.456 HG21 HD22 ' A' ' 33' ' ' LEU . 17.7 pt -64.56 -19.6 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -31.41 69.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -49.92 -36.28 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -100.04 -18.96 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 76.04 48.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 81' ' ' LEU . 38.8 mt -78.92 118.95 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.85 168.78 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -51.35 107.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.66 -30.26 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -45.16 167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.528 ' CE ' ' CD1' ' A' ' 18' ' ' LEU . 5.5 tpt -112.83 145.7 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 88' ' ' MET . 56.4 t -148.9 157.26 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.2 m-85 -125.26 130.23 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 tp -105.24 157.95 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.747 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.24 120.1 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.442 ' CB ' HG21 ' A' ' 43' ' ' ILE . 14.6 p90 -140.67 149.75 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.2 tt0 -96.94 136.51 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 70.72 162.49 4.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -84.29 167.21 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.561 0.22 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -111.33 130.58 55.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.52 133.98 52.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.9 ttt180 -93.08 100.37 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.984 HG22 ' CG1' ' A' ' 89' ' ' VAL . 62.8 t -96.33 149.85 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.842 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.45 134.19 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -121.43 -174.72 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -93.58 27.02 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.19 27.9 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.77 174.85 19.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -89.66 129.5 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -113.05 147.69 36.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 146.57 34.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.872 HG21 HG13 ' A' ' 37' ' ' ILE . 60.3 t -139.72 157.68 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -106.26 130.32 54.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 24' ' ' ASP . 2.8 m -122.57 -164.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 23' ' ' VAL . 22.1 m-20 -115.28 -45.86 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 165.08 -161.12 34.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.94 -24.35 13.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.49 -18.49 7.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -88.11 151.4 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 77' ' ' ARG . 49.5 p -107.38 167.3 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.845 HG11 ' O ' ' A' ' 71' ' ' MET . 72.8 t -47.47 -39.0 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -42.83 80.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -75.32 -34.21 61.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.5 HD23 HD12 ' A' ' 37' ' ' ILE . 3.4 tt -62.6 -56.84 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HD2' HG12 ' A' ' 30' ' ' VAL . 33.1 mttt -53.47 -65.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.4 m -37.16 -48.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 23' ' ' VAL . 13.3 mt -52.77 -53.52 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.872 HG13 HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -67.3 -50.96 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -45.36 -27.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t70 -93.19 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' NE2' HG13 ' A' ' 21' ' ' VAL . 42.4 mt-30 -53.21 -56.07 19.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD12 HG23 ' A' ' 37' ' ' ILE . 13.7 mt -76.09 -17.07 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 59.0 mm-40 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -135.53 142.84 42.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 34' ' ' LYS . 6.3 mt -50.06 -43.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.61 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -49.07 -22.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.578 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ILE . 37.6 m-20 -104.26 -35.86 7.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG2' HG22 ' A' ' 43' ' ' ILE . 12.9 mt-30 -61.78 139.42 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.762 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.8 m -135.43 102.6 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.51 141.0 30.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.3 t -159.65 171.6 19.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -118.83 35.11 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.65 117.44 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.19 -20.4 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 49.4 m-80 -63.05 -13.84 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.746 HD21 ' O ' ' A' ' 49' ' ' THR . 40.8 tp -64.05 -29.81 70.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.842 HD11 ' HG2' ' A' ' 13' ' ' ARG . 29.4 mt -73.48 -12.78 60.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.3 -43.9 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.04 120.45 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -110.71 -29.92 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.0 171.4 7.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.56 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.847 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.0 t -61.23 -28.41 69.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.73 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -66.26 -46.77 75.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 18.4 m-85 -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 63' ' ' SER . 79.1 mt -71.46 -11.04 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.42 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 36.3 m-85 -102.85 101.7 11.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -128.37 61.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -40.3 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.845 ' O ' HG11 ' A' ' 30' ' ' VAL . 95.8 mtp -112.76 24.38 12.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.17 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -78.23 119.49 77.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.37 11.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -84.51 3.48 36.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.462 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -87.96 139.94 30.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HG3' HG22 ' A' ' 29' ' ' THR . 23.0 mtt180 -99.27 147.34 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 33' ' ' LEU . 29.6 pt -61.69 -15.0 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.2 p -67.98 -30.04 69.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -61.16 -31.44 71.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 71' ' ' MET . 0.6 OUTLIER -100.8 -8.0 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.85 71.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 87' ' ' SER . 33.3 mt -112.23 125.65 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.28 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -52.82 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.42 -14.28 4.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 83' ' ' LEU . 6.4 t -62.72 174.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -126.07 145.81 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.984 ' CG1' HG22 ' A' ' 12' ' ' VAL . 10.3 p -151.94 157.48 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.6 m-85 -124.7 134.14 52.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 48' ' ' GLN . 22.5 tp -106.56 158.8 16.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.762 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.7 119.97 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.4 p90 -142.84 150.43 39.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -95.62 135.74 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.8 176.94 46.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.17 -172.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -86.16 176.12 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.4 ttp -121.71 136.52 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' ' HG2' ' A' ' 9' ' ' MET . 21.5 mt -120.44 156.4 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -96.87 120.22 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 91' ' ' LEU . 28.8 t -117.52 105.51 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -79.47 123.67 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -127.46 169.9 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -49.32 -54.74 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.26 -41.56 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.96 -114.07 0.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -129.13 103.91 7.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -101.92 155.71 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 156.68 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.681 HG21 HG12 ' A' ' 37' ' ' ILE . 39.6 t -142.19 146.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -96.35 132.83 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -119.46 -168.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.28 -47.03 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.1 -170.23 42.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.06 -25.12 12.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.64 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.4 pp -85.31 155.87 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 28' ' ' ILE . 45.0 p -101.28 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.516 ' CG2' HD23 ' A' ' 76' ' ' LEU . 37.9 t -53.04 -47.08 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 p -47.63 -49.02 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.24 -28.92 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -71.66 -54.51 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 50' ' ' LEU . 2.2 mtpm? -48.68 -61.07 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 m -41.45 -54.65 3.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.0 mt -45.43 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.825 HG22 ' OE1' ' A' ' 48' ' ' GLN . 6.4 mt -52.38 -44.78 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -54.31 -30.56 51.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t0 -87.73 -65.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.65 ' CD ' HG13 ' A' ' 21' ' ' VAL . 43.9 mt-30 -48.69 -55.34 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.4 mt -75.73 -17.89 59.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 77.5 mm-40 64.52 40.51 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 44' ' ' PRO . 59.7 mt -113.61 142.48 27.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 131.19 13.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.448 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -46.76 -60.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -39.79 -29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.4 m-20 -92.65 -47.06 7.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.825 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.1 mt-30 -51.3 136.38 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.4 m -135.09 104.93 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 34' ' ' LYS . 1.9 mm? -87.08 133.05 33.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -163.34 141.22 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.4 p -91.38 34.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -138.56 145.94 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 4.3 ptm180 -76.62 -25.9 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -51.02 -22.85 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -54.15 -39.56 66.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.786 HD11 ' HG2' ' A' ' 13' ' ' ARG . 14.7 mt -70.42 -22.43 62.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.45 -35.22 47.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.48 116.05 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -110.98 -25.9 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.11 162.06 33.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.07 12.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.0 -31.34 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 17.9 t0 -62.01 -46.95 86.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.87 -25.72 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 63' ' ' SER . 42.9 mt -69.45 -9.68 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.04 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 64.6 m-85 -93.52 95.8 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -118.9 46.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.41 -47.01 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.608 ' CG ' HD11 ' A' ' 81' ' ' LEU . 83.4 mtp -114.72 45.48 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.28 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -65.58 120.33 67.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.9 16.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -90.52 6.23 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.516 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -90.68 138.68 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -94.15 142.1 27.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.566 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 13.4 pt -57.33 -25.2 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t -57.02 -31.11 64.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -52.89 -43.19 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.608 HD11 ' CG ' ' A' ' 71' ' ' MET . 2.1 mt -89.91 -15.27 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.92 74.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.6 mt -107.82 119.17 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.3 165.36 17.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.8 t-160 -48.12 107.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.5 -35.97 2.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -44.85 169.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 13.9 tpt -120.78 147.43 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 88' ' ' MET . 98.0 t -153.74 154.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 54' ' ' ARG . 80.3 m-85 -115.59 157.68 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 37' ' ' ILE . 52.2 tp -139.94 120.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.611 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -122.12 120.33 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 4.4 p90 -131.98 169.4 16.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.6 tt0 -105.65 137.71 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.0 148.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.1 pt-20 -49.62 179.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -76.98 162.74 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' VAL . 23.9 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -111.34 132.14 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 130.73 55.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.1 ttt180 -81.78 127.6 33.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -122.37 106.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.769 HH11 HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.84 135.21 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 59.3 p -129.77 162.64 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -14.04 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -93.57 -13.06 28.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.77 157.02 7.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.769 HD12 HH11 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -72.18 132.63 44.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 69.4 mt-10 -134.32 170.61 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.5 143.19 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.793 HG11 HG13 ' A' ' 37' ' ' ILE . 48.6 t -131.25 145.27 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.7 t -85.16 155.41 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' THR . 2.9 m -144.73 -164.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 28' ' ' ILE . 94.4 m-20 -122.75 -45.19 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.79 -163.57 35.87 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.09 13.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.574 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.07 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.566 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.17 148.79 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 77' ' ' ARG . 73.3 p -105.66 172.68 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' HD23 ' A' ' 76' ' ' LEU . 20.6 t -52.6 -37.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -56.53 -44.65 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -74.76 -32.15 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.0 OUTLIER -66.05 -61.3 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.704 ' CG ' HD23 ' A' ' 50' ' ' LEU . 69.1 mttt -49.49 -51.15 38.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -49.25 -47.18 46.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 22' ' ' SER . 14.5 mt -53.53 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.796 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.8 mp -53.13 -36.21 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -63.62 -29.82 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.354 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -92.07 -53.84 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.728 ' OE1' HG13 ' A' ' 21' ' ' VAL . 55.5 mt-30 -56.79 -59.45 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.7 mt -76.8 -9.51 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.7 mm-40 58.14 54.71 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.638 HD11 ' HE ' ' A' ' 97' ' ' ARG . 51.9 mt -127.45 142.4 43.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.08 128.06 11.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.2 mt -48.23 -57.32 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -40.45 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.5 m-20 -94.2 -45.82 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.796 ' OE1' HG22 ' A' ' 37' ' ' ILE . 14.0 mt-30 -49.58 141.94 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 39.1 m -134.54 105.21 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CG ' ' A' ' 34' ' ' LYS . 1.8 mm? -89.58 129.1 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.614 ' HB3' HD22 ' A' ' 56' ' ' LEU . 5.1 t -162.8 136.24 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 p -89.14 34.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.522 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 17.8 t-20 -128.69 113.48 15.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -54.79 -18.5 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 18.1 m120 -65.38 -11.35 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' SER . 13.6 tp -60.52 -47.7 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.4 -29.25 58.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 -48.98 63.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.82 119.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -22.7 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.465 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -106.36 176.1 1.81 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.97 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.958 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -49.31 -37.23 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.738 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 t0 -59.97 -54.23 48.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 23.2 m-85 -61.8 -22.59 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' ' 63' ' ' SER . 75.9 mt -70.81 -7.98 49.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.7 31.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.554 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 80.7 m-85 -99.9 119.27 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 p -149.16 49.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.12 -33.44 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.881 ' HG2' HD11 ' A' ' 81' ' ' LEU . 55.2 mtp -121.03 47.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.24 -34.34 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.07 120.11 77.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -18.57 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.83 -3.37 57.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -93.52 146.32 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG2' HD12 ' A' ' 33' ' ' LEU . 15.4 pt -57.6 -27.44 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 p -52.13 -31.51 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 t -55.0 -41.08 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.13 -25.21 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 44.9 t30 79.61 57.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.23 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -111.95 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -60.0 116.62 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.58 -20.44 27.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 41.5 m -52.38 161.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.968 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.453 ' C ' HG23 ' A' ' 89' ' ' VAL . 2.9 tpt -108.26 144.82 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 88' ' ' MET . 46.2 t -153.64 153.1 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.547 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 93.5 m-85 -122.5 140.63 52.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.34 153.82 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.35 124.49 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.9 p90 -142.01 173.08 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.4 pt-20 -113.87 146.24 40.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.22 171.01 7.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 179.07 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.638 ' HE ' HD11 ' A' ' 43' ' ' ILE . 39.7 mtt180 -81.07 173.56 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 14.3 tmm? -104.73 147.93 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.7 mt -128.54 149.29 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -106.74 100.02 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.941 ' O ' HD22 ' A' ' 18' ' ' LEU . 2.6 m -90.83 139.64 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.732 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -107.67 122.01 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.4 p -124.98 171.72 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 5.9 ptp180 -64.9 -36.57 84.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.96 -11.09 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.51 175.88 14.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -71.68 134.27 46.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.1 mt-10 -129.6 155.12 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.05 156.85 28.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.705 HG13 ' NE2' ' A' ' 40' ' ' GLN . 60.9 t -153.92 145.39 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -95.92 133.66 39.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.4 -166.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.26 -58.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 173.58 -157.28 25.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -75.0 -26.48 10.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.482 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -54.49 -18.73 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -89.37 164.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -120.52 169.99 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 71' ' ' MET . 75.1 t -50.32 -39.42 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 p -52.79 -46.05 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -71.96 -36.44 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.06 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HG23 ' A' ' 45' ' ' ILE . 64.8 mttt -45.53 -49.13 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -50.76 -47.31 59.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.34 -67.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.808 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.9 mt -53.34 -35.6 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.08 -28.77 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.5 t70 -91.76 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.705 ' NE2' HG13 ' A' ' 21' ' ' VAL . 29.4 mt-30 -51.34 -56.74 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.76 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.4 mt -77.38 -13.94 59.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 69.3 mm-40 60.81 52.01 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 44' ' ' PRO . 48.7 mt -125.4 142.09 40.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 134.54 17.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.8 mt -51.69 -51.37 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -48.55 -22.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 25.3 m-20 -100.01 -45.69 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.808 ' OE1' HG22 ' A' ' 37' ' ' ILE . 22.1 mt-30 -55.34 132.36 47.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.52 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.9 m -135.12 103.59 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.445 HD21 HD13 ' A' ' 91' ' ' LEU . 16.5 mt -89.79 142.63 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 t -162.25 143.41 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 81' ' ' LEU . 2.4 p -89.56 36.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -145.83 127.08 14.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.1 ptt85 -57.48 -23.37 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.3 m120 -50.19 -24.28 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.884 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -50.56 -48.35 57.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.732 HD11 ' HG2' ' A' ' 13' ' ' ARG . 5.7 mt -65.13 -23.5 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.74 -36.29 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -64.8 119.49 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.28 -27.18 8.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -94.39 174.63 3.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.99 -49.84 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -56.66 -51.83 67.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 17.5 m-85 -59.47 -21.61 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 63' ' ' SER . 38.1 mt -77.61 -7.59 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.24 -26.8 52.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.74 107.61 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.8 p -133.32 44.13 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -100.54 -37.81 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.66 ' O ' HG11 ' A' ' 30' ' ' VAL . 81.9 mtp -116.75 26.67 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 34' ' ' LYS . . . -86.08 -39.11 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 30.4 t70 -59.24 120.85 51.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -17.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -92.68 1.59 57.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.85 144.7 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.84 157.58 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 4.6 pt -73.15 -33.98 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -57.13 -18.45 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -57.81 -31.18 66.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.742 HD12 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -105.1 -22.57 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 1.6 t30 81.86 56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.742 HD21 HD12 ' A' ' 81' ' ' LEU . 1.7 mm? -86.07 108.72 18.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -100.82 172.96 6.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.8 97.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.74 -22.39 4.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 74.7 m -43.95 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.8 tpt -109.08 145.22 36.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' ARG . 92.9 t -153.66 157.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.3 137.3 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD22 HG21 ' A' ' 37' ' ' ILE . 19.2 tp -117.34 115.32 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.884 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.09 119.8 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 43' ' ' ILE . 16.9 p90 -138.29 159.52 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.6 pt-20 -91.99 145.8 24.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.04 165.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.65 -179.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -75.2 157.79 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.482 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.9 tmm? -120.85 143.9 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 9' ' ' MET . 24.1 mt -132.11 155.86 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -103.2 116.56 32.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.7 t -103.88 108.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.661 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.72 133.78 40.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 17' ' ' GLY . 56.9 p -107.03 176.73 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.45 -45.97 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.97 36.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 14' ' ' SER . . . -151.28 112.28 0.53 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -94.13 126.57 39.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' VAL . 3.9 mt-10 -139.52 167.96 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.52 148.88 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 37' ' ' ILE . 57.4 t -137.04 145.7 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -95.81 132.55 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.55 -166.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.21 -60.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 179.79 -163.7 31.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.56 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -24.16 13.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -18.32 7.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -89.42 155.64 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.507 HG22 ' HG3' ' A' ' 77' ' ' ARG . 47.2 p -103.07 163.5 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.886 HG11 ' O ' ' A' ' 71' ' ' MET . 98.8 t -47.85 -44.24 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 74' ' ' PRO . 12.5 p -49.5 -49.5 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.9 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 37' ' ' ILE . 1.2 tt -73.76 -57.34 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HD3' HG23 ' A' ' 45' ' ' ILE . 1.4 mtpm? -49.34 -49.57 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 m -49.66 -46.17 49.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.19 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.847 ' CG1' HG21 ' A' ' 21' ' ' VAL . 2.6 mt -51.9 -34.49 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.35 -30.77 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 15.6 t0 -91.96 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 52.6 mt-30 -47.48 -57.2 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 37' ' ' ILE . 7.3 mt -77.65 -17.23 57.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.0 mm-40 65.07 55.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 44' ' ' PRO . 21.6 mt -130.04 142.43 45.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 134.81 18.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.555 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.1 mt -50.79 -55.9 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -44.32 -25.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.58 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ILE . 19.8 m-20 -96.85 -46.13 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.814 ' OE1' HG22 ' A' ' 37' ' ' ILE . 21.5 mt-30 -55.09 133.22 48.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.729 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 16.2 m -135.42 100.47 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 33' ' ' LEU . 15.4 mt -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.745 ' CB ' HD22 ' A' ' 56' ' ' LEU . 8.0 t -162.58 140.63 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.799 HG21 HD13 ' A' ' 81' ' ' LEU . 4.6 p -90.13 32.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.75 113.61 9.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.26 -19.89 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 78.9 m-20 -61.8 -18.59 60.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.745 HD22 ' CB ' ' A' ' 51' ' ' SER . 26.1 tp -60.28 -37.93 82.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 13' ' ' ARG . 26.5 mt -63.03 -17.34 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.29 -47.75 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -43.04 118.43 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.63 -28.24 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -96.3 174.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.08 -48.3 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.886 ' HA ' HD12 ' A' ' 66' ' ' LEU . 79.6 p -55.7 -38.25 69.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.551 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.0 t0 -57.91 -46.79 84.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.659 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 21.4 m-85 -63.14 -20.91 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 63' ' ' SER . 45.3 mt -76.82 -13.01 60.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.66 69.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 79.8 m-85 -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.2 p -126.78 50.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.51 -30.29 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.886 ' O ' HG11 ' A' ' 30' ' ' VAL . 73.5 mtp -128.8 26.0 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.58 13.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.4 t70 -54.96 120.64 30.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' SER . 18.3 Cg_endo -75.0 -21.22 16.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.97 -3.77 59.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.65 141.17 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -99.82 144.52 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.625 HG21 HD12 ' A' ' 33' ' ' LEU . 17.7 pt -54.18 -31.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -25.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -56.65 -29.59 62.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.799 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -111.12 -14.21 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.42 73.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -97.01 112.41 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.2 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.96 102.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.64 -24.7 4.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.9 t -48.69 172.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 6.7 tpt -116.09 145.67 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 45.3 t -150.2 148.19 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 83.2 m-85 -117.61 159.5 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 41' ' ' LEU . 65.7 tp -126.49 161.92 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -161.12 119.26 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.3 p90 -136.38 158.05 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.46 146.52 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.55 -119.93 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -175.15 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -81.38 168.12 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 10' ' ' LEU . 19.2 tmm? -109.42 140.55 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 9' ' ' MET . 10.9 mt -125.29 145.85 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HD3' HD21 ' A' ' 18' ' ' LEU . 3.8 mtt180 -104.42 102.52 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.01 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.7 m -95.59 155.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -119.41 124.29 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLY . 19.5 p -114.47 153.92 29.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.28 -22.09 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -34.07 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 168.75 -124.4 1.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -131.07 128.57 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 35.1 mt-10 -125.53 152.45 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.93 153.47 41.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG13 ' CD ' ' A' ' 40' ' ' GLN . 85.9 t -150.64 147.91 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -93.88 132.71 38.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.89 -165.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.59 -62.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.01 -157.88 26.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -74.96 -24.81 12.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.68 -18.46 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.23 162.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.604 HG22 ' HG3' ' A' ' 77' ' ' ARG . 61.9 p -116.0 165.81 12.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.908 HG12 ' HD2' ' A' ' 34' ' ' LYS . 77.4 t -45.96 -38.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -54.24 -53.78 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.1 -37.66 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 37' ' ' ILE . 7.0 tp -58.72 -54.98 41.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.908 ' HD2' HG12 ' A' ' 30' ' ' VAL . 26.1 mttt -53.31 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 34' ' ' LYS . 6.8 m -33.41 -47.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.3 mt -56.27 -59.55 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -63.45 -44.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -52.04 -27.71 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.43 -63.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.637 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.3 mt-30 -52.15 -51.83 55.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.743 HD12 HG23 ' A' ' 37' ' ' ILE . 12.3 mt -76.14 -24.61 54.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 68.81 45.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.5 mt -124.51 142.32 40.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 125.82 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.759 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.567 HD13 ' CB ' ' A' ' 34' ' ' LYS . 9.5 mt -51.05 -44.02 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -47.91 -23.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.171 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ILE . 40.0 m-20 -102.25 -41.5 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.2 mt-30 -53.48 141.37 25.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.85 112.9 11.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.3 mm? -90.0 128.91 36.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -162.19 140.02 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 p -89.6 36.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -136.76 146.85 46.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 3.2 ptm180 -79.87 -22.41 42.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.66 -25.06 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.769 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -49.08 -48.52 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.56 -30.3 65.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -46.2 63.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.72 116.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -110.97 -24.44 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -103.27 176.92 1.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.989 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.0 -41.95 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.735 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -57.49 -52.9 63.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 18.6 m-85 -61.7 -22.36 65.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 63' ' ' SER . 37.1 mt -74.35 -13.54 60.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.4 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -90.29 104.85 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.7 p -131.11 57.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.2 -29.06 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.818 ' SD ' HD11 ' A' ' 81' ' ' LEU . 39.7 mmm -119.37 26.09 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.26 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -62.13 119.69 51.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.74 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -94.76 0.44 54.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -82.31 134.04 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.604 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.4 mpt_? -87.96 153.46 21.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.7 pt -69.15 -21.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.3 p -60.82 -17.87 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -65.21 -28.88 69.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.818 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -111.28 3.74 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 50.16 65.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.731 HD11 HD12 ' A' ' 81' ' ' LEU . 84.1 mt -93.11 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.88 175.53 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CE1' ' H ' ' A' ' 9' ' ' MET . 3.4 t-160 -67.54 102.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.543 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . . . 124.83 -16.68 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 11.1 t -48.65 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 110.028 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -121.0 144.27 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG1' HG12 ' A' ' 12' ' ' VAL . 12.2 p -153.59 159.77 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 95.1 m-85 -123.24 135.87 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 48' ' ' GLN . 14.8 tp -117.2 116.21 26.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.769 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.25 120.07 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -140.28 162.26 35.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 1.4 tt0 -102.85 137.93 40.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 74.86 163.17 10.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -177.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.84 158.4 20.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.7 ttp -115.91 125.33 52.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.34 145.7 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -102.89 101.06 11.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.6 m -90.39 155.35 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.833 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -122.36 123.18 40.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.6 p -122.23 167.0 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -56.9 -44.47 82.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.07 -33.16 74.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.27 -175.4 33.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.7 tp -76.17 130.91 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 12' ' ' VAL . 10.7 mt-10 -121.62 151.83 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.507 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -104.16 156.67 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.618 HG13 ' NE2' ' A' ' 40' ' ' GLN . 94.1 t -157.39 148.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -104.08 130.83 51.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.85 -165.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 28' ' ' ILE . 50.8 m-20 -112.55 -42.17 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 159.61 -163.6 33.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.66 12.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.5 -18.59 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.2 pp -87.38 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.2 p -109.45 171.54 7.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.563 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.5 t -51.12 -38.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.5 p -55.19 -46.41 75.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -73.39 -35.0 65.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 78' ' ' ILE . 5.4 tp -62.61 -52.83 61.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.772 ' HE3' HD23 ' A' ' 50' ' ' LEU . 1.1 mttt -51.05 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 39' ' ' ASP . 85.6 m -36.46 -51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 27.7 mt -50.46 -70.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 48' ' ' GLN . 12.7 mt -53.19 -36.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.01 -22.36 65.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' THR . 16.3 t0 -93.38 -50.36 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.618 ' NE2' HG13 ' A' ' 21' ' ' VAL . 46.6 mt-30 -67.38 -59.62 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.743 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.3 mt -72.44 -12.24 61.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 58.6 mm-40 58.15 45.44 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 44' ' ' PRO . 19.3 mt -116.23 141.83 28.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 133.0 16.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.577 HG23 ' HG2' ' A' ' 34' ' ' LYS . 5.8 mt -49.1 -53.55 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -46.94 -24.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 22.9 m-20 -98.24 -46.87 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.8 mt-30 -52.19 139.88 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.5 m -135.18 110.02 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.772 HD23 ' HE3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -90.25 131.29 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -162.37 128.76 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB3' ' A' ' 81' ' ' LEU . 52.9 p -89.57 45.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -150.61 123.15 8.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.97 -23.27 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD23 ' A' ' 58' ' ' LEU . 3.1 m-80 -52.89 -27.61 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -51.44 -43.74 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 13' ' ' ARG . 13.2 mt -68.03 -23.68 65.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.63 -33.17 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -58.11 124.78 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.34 -28.99 7.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.65 162.06 23.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.26 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -74.4 -27.37 60.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t70 -70.55 -45.09 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.4 m-85 -54.21 -18.51 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 63' ' ' SER . 18.0 mt -80.83 -14.11 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.638 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 69.3 m-85 -91.76 94.99 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -119.64 31.38 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.14 -18.01 59.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 81.3 mtp -142.86 44.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.88 -23.83 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.52 124.55 85.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.44 15.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -88.76 0.49 56.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.563 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -86.86 145.49 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 53.5 mtt180 -104.43 149.17 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 25.8 pt -67.96 -9.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.1 p -66.6 -19.71 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -71.6 -23.11 61.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.24 -9.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.59 63.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 78' ' ' ILE . 88.4 mt -97.87 116.33 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.7 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 5.3 t-160 -60.99 103.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.53 -25.78 5.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -55.88 167.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -108.94 144.82 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' ARG . 46.2 t -148.64 156.96 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.8 m-85 -125.44 137.95 54.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 41' ' ' LEU . 22.1 tp -119.65 124.37 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -119.25 119.65 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -140.0 158.19 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 3.5 pt-20 -99.01 142.67 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.62 159.55 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 178.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -79.59 159.24 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttp -110.22 133.18 53.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -111.68 163.67 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -107.99 108.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 91' ' ' LEU . 42.3 t -102.73 112.86 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.929 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.47 124.47 34.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 p -131.0 164.98 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -41.77 -58.1 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -41.06 -46.9 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.16 -113.64 0.53 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 tp -132.13 106.67 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -100.9 156.6 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.41 155.5 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CD ' ' A' ' 40' ' ' GLN . 51.8 t -147.8 153.94 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -99.66 133.72 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.71 -165.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.8 m-20 -104.65 -62.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 172.59 -155.19 22.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.98 -24.75 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.79 -17.86 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -95.0 155.96 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -109.23 170.22 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.774 HG12 ' HD2' ' A' ' 34' ' ' LYS . 65.6 t -50.29 -38.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -48.79 72.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -69.1 -35.33 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 37' ' ' ILE . 4.5 tp -61.53 -53.35 57.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.774 ' HD2' HG12 ' A' ' 30' ' ' VAL . 37.2 mttt -55.34 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.1 m -33.45 -43.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 12.6 mt -59.27 -68.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.78 HG23 ' CD1' ' A' ' 41' ' ' LEU . 1.5 mp -56.28 -40.98 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.586 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.37 -37.51 48.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.0 t0 -86.21 -63.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.558 ' CD ' HG13 ' A' ' 21' ' ' VAL . 28.1 mt-30 -45.86 -55.32 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.78 ' CD1' HG23 ' A' ' 37' ' ' ILE . 11.4 mt -77.15 -18.94 57.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 74.7 mm-40 65.84 45.8 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.695 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.4 mt -123.04 142.85 39.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 127.28 10.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.7 mt -50.31 -56.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.65 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 15.8 m-20 -93.19 -43.57 8.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.5 mt-30 -51.26 142.81 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.914 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 15.6 m -134.65 110.16 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.0 mm? -90.39 130.71 36.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 3.8 t -162.71 138.98 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.845 ' CG2' HD13 ' A' ' 81' ' ' LEU . 13.1 p -89.4 35.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.09 146.7 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -24.26 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -53.44 -21.11 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 68' ' ' PHE . 9.5 tp -53.36 -43.17 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.929 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -67.84 -21.66 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -78.14 -39.74 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -50.51 119.7 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -110.7 -27.27 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.1 p -91.48 157.16 42.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.71 21.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.887 ' HA ' HD12 ' A' ' 66' ' ' LEU . 18.6 m -88.0 -34.4 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.521 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.9 t0 -59.94 -47.53 85.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 13.1 m-85 -57.11 -26.6 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 63' ' ' SER . 27.2 mt -70.5 -9.27 56.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.1 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.502 ' CD2' HD12 ' A' ' 56' ' ' LEU . 63.0 m-85 -99.61 96.68 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -122.54 54.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.04 -30.5 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.71 ' O ' HG11 ' A' ' 30' ' ' VAL . 46.6 mmm -115.09 22.68 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.55 -44.45 19.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -59.82 119.8 44.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.82 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.31 -3.88 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.572 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -79.9 140.15 36.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.21 156.41 16.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 5.7 pt -65.33 -22.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -57.43 -21.87 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.6 t -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.845 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -106.94 -14.75 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.3 74.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.5 mm? -97.5 119.58 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 168.56 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.51 114.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.586 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -14.36 30.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 p -55.1 174.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 11.6 tpt -124.1 147.18 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 88' ' ' MET . 84.7 t -153.8 152.71 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 85.7 m-85 -116.56 157.43 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 12' ' ' VAL . 53.2 tp -136.03 128.59 30.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.914 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -126.93 123.97 38.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.0 p90 -137.13 158.62 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.32 150.58 25.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.56 -120.82 6.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -172.01 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -86.54 173.18 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 2.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -105.12 132.38 51.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -104.98 143.64 32.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.816 ' CG ' HD21 ' A' ' 18' ' ' LEU . 3.4 ttt85 -92.47 101.49 13.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG21 HG12 ' A' ' 37' ' ' ILE . 78.9 t -94.53 106.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.08 130.65 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.56 148.42 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -75.85 -24.51 55.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.87 -178.95 33.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD21 ' CG ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -92.97 138.64 31.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.536 ' N ' HD13 ' A' ' 18' ' ' LEU . 28.8 mt-10 -143.21 167.27 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -129.17 147.74 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 37' ' ' ILE . 72.1 t -137.43 151.42 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -102.0 132.44 47.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.95 -165.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.551 ' HB2' HG21 ' A' ' 28' ' ' ILE . 4.0 m-20 -109.25 -48.4 3.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.466 ' O ' HD11 ' A' ' 78' ' ' ILE . . . 168.76 -163.21 36.99 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.17 13.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.57 -18.37 11.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -87.39 147.84 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.3 p -104.35 166.28 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 34' ' ' LYS . 80.9 t -45.94 -38.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 p -55.09 -48.84 73.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.35 -33.27 72.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.641 HD12 HG21 ' A' ' 78' ' ' ILE . 2.0 tt -64.5 -59.05 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HE3' HD23 ' A' ' 50' ' ' LEU . 31.1 mttt -47.08 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 m -37.18 -56.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -43.47 -67.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.866 HG13 HG21 ' A' ' 21' ' ' VAL . 1.4 mp -57.53 -52.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -42.02 -33.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -90.56 -65.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HG13 ' A' ' 21' ' ' VAL . 30.1 mt-30 -44.63 -54.72 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.703 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.9 mt -78.11 -22.25 49.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 69.86 55.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 44' ' ' PRO . 47.4 mt -132.73 142.94 46.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 127.45 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 34' ' ' LYS . 5.0 mt -50.0 -56.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.54 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ILE . 37.3 m-20 -92.99 -43.25 9.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.647 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.3 mt-30 -52.71 138.17 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.694 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 99.0 m -135.06 107.94 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.846 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.3 mm? -85.67 141.8 29.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 56' ' ' LEU . 6.0 t -162.69 136.9 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.664 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.7 p -89.25 21.72 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -128.16 136.15 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -15.85 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 58' ' ' LEU . 86.6 m-20 -60.86 -16.95 47.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 51' ' ' SER . 31.8 tp -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.524 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -64.61 -13.59 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ASN . 35.5 mt -86.08 -34.99 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.15 123.7 16.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -111.36 -29.39 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -98.97 172.45 4.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.99 -47.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.889 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -53.65 -34.4 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.559 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.3 t0 -63.68 -48.75 75.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 14.1 m-85 -62.52 -20.13 64.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 ' HA ' ' A' ' 63' ' ' SER . 73.8 mt -73.64 -10.61 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -28.39 54.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -100.62 120.34 39.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.9 p -149.53 41.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -38.91 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.688 ' HG2' HD11 ' A' ' 81' ' ' LEU . 22.0 mtp -121.44 48.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.81 -32.56 16.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.84 122.32 86.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -17.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.76 -0.42 57.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.632 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.39 141.06 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -92.51 156.67 17.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.641 HG21 HD12 ' A' ' 33' ' ' LEU . 7.4 pt -75.46 -9.89 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 p -68.19 -23.22 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.7 t -60.93 -28.73 69.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -107.25 -23.44 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.58 54.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -79.43 100.63 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.85 172.55 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.03 110.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.35 -15.85 24.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.427 ' OG ' HD12 ' A' ' 83' ' ' LEU . 42.7 t -49.3 168.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.2 tpt -107.93 143.78 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' MET . 5.7 t -152.1 142.83 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' CD1' HD13 ' A' ' 57' ' ' LEU . 65.3 m-85 -115.5 131.96 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.87 140.78 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -138.54 121.03 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.4 p90 -140.15 161.33 37.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.7 pt-20 -101.95 145.2 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.89 173.98 16.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.46 -176.57 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -81.22 179.19 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.43 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.18 126.68 53.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -106.67 131.79 53.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.9 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.1 ttt180 -87.81 99.17 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.968 HG22 ' CG1' ' A' ' 89' ' ' VAL . 38.4 t -98.9 145.13 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.703 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.16 127.85 54.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 158.64 29.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -54.76 -25.83 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -79.21 -24.51 43.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.38 173.39 14.91 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 11' ' ' ARG . 9.0 tp -73.82 124.17 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -123.36 171.41 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 44.2 mmt-85 -112.65 158.65 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG11 HG13 ' A' ' 37' ' ' ILE . 40.2 t -154.02 146.15 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -101.83 132.0 47.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 24' ' ' ASP . 3.0 m -120.52 -164.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 3.5 m-20 -117.69 -43.87 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.83 -166.63 37.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.22 13.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.28 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -86.5 159.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -118.05 165.25 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 71' ' ' MET . 82.6 t -44.63 -37.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.4 p -54.71 -51.81 64.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.91 -30.45 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 78' ' ' ILE . 1.8 tp -68.58 -68.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 30' ' ' VAL . 38.4 mttt -41.13 -46.03 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -54.75 -45.04 74.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.8 mt -57.29 -66.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.972 HG21 HD22 ' A' ' 91' ' ' LEU . 2.2 mp -54.39 -35.09 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.15 -32.59 71.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.92 -55.07 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.54 ' OE1' HG13 ' A' ' 21' ' ' VAL . 69.2 mt-30 -55.04 -56.37 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.835 ' HG ' HG23 ' A' ' 37' ' ' ILE . 6.1 mt -79.64 -9.27 59.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 57.81 53.37 7.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 44' ' ' PRO . 34.1 mt -128.13 142.74 45.49 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 129.31 12.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 47' ' ' ASN . 8.2 mt -49.72 -52.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -45.77 -24.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.9 m-20 -98.4 -43.51 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.807 ' OE1' HG22 ' A' ' 37' ' ' ILE . 18.3 mt-30 -54.41 137.97 41.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 91' ' ' LEU . 33.2 m -134.95 99.53 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 HD13 ' A' ' 91' ' ' LEU . 5.0 mt -86.26 140.67 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.466 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.3 t -162.17 153.63 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -98.58 34.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -145.2 143.12 30.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.43 HH11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.28 -31.52 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -50.53 -28.33 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -59.63 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.6 mt -79.98 -3.35 47.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.43 HD11 HH11 ' A' ' 54' ' ' ARG . 21.0 mt -95.72 -33.77 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -59.86 117.4 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -110.93 -27.68 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 164.59 28.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.749 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.92 -26.73 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.677 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -70.31 -48.61 55.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -53.24 -20.26 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 63' ' ' SER . 26.4 mt -74.43 -13.37 60.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.01 -19.51 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.3 m-85 -115.62 98.92 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -123.92 54.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -26.61 13.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.815 ' O ' HG11 ' A' ' 30' ' ' VAL . 10.3 mmm -126.82 19.07 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.17 -27.41 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -72.23 119.51 75.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -18.1 19.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.17 5.48 51.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -88.17 137.9 31.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -97.78 144.15 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG21 HD22 ' A' ' 33' ' ' LEU . 16.9 pt -58.74 -18.37 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -65.93 -34.9 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -50.23 -27.44 5.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -106.37 -21.11 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 20.7 t30 77.88 63.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 81' ' ' LEU . 65.3 mt -101.09 114.94 29.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -120.54 167.66 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -46.07 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 135.34 -28.61 3.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.553 ' HB2' HD22 ' A' ' 83' ' ' LEU . 15.6 p -46.55 160.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -109.31 146.26 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.968 ' CG1' HG22 ' A' ' 12' ' ' VAL . 8.0 p -152.57 152.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.699 ' HD1' HD11 ' A' ' 57' ' ' LEU . 86.4 m-85 -120.42 141.66 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HG21 ' A' ' 37' ' ' ILE . 14.2 tp -125.91 121.09 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 56' ' ' LEU . . . -121.47 120.09 33.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -132.52 156.05 47.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.89 133.75 35.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.32 -176.24 50.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.87 -177.43 6.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.357 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 41' ' ' LEU . 2.4 mtt85 -80.33 -163.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.723 ' O ' HG22 ' A' ' 23' ' ' VAL . 12.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' A' ' 10' ' ' LEU . 4.6 ttp -88.23 141.62 28.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' MET . 13.8 mt -124.66 149.64 46.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HD3' HD21 ' A' ' 18' ' ' LEU . 7.7 mtt180 -108.46 101.32 10.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.988 HG12 ' CG1' ' A' ' 89' ' ' VAL . 9.0 m -94.01 154.79 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -116.19 124.52 50.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.7 p -118.6 171.88 7.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -67.43 -26.22 66.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -82.96 -21.4 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.72 -170.92 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.797 HD21 ' HD3' ' A' ' 11' ' ' ARG . 4.1 tp -83.57 126.82 33.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.0 mt-10 -121.18 149.24 43.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -118.54 155.17 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.602 HG13 ' CD ' ' A' ' 40' ' ' GLN . 44.8 t -153.59 145.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -92.41 134.67 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 8' ' ' THR . 10.3 m -124.41 -165.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -103.98 -58.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.63 -154.81 25.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.74 -18.09 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -94.75 160.41 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.488 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.3 p -111.0 169.37 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.664 HG12 ' HD2' ' A' ' 34' ' ' LYS . 24.9 t -51.21 -36.06 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -56.13 -51.97 66.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.51 -37.27 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.651 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.3 tt -58.22 -56.75 18.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HD2' HG12 ' A' ' 30' ' ' VAL . 27.1 mttt -52.89 -68.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.68 -50.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.7 mt -51.12 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.706 HG23 HD12 ' A' ' 41' ' ' LEU . 1.3 mt -64.81 -50.46 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.03 -32.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.4 -67.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.602 ' CD ' HG13 ' A' ' 21' ' ' VAL . 30.5 mt-30 -46.62 -52.68 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 37' ' ' ILE . 13.0 mt -77.2 -20.64 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 65.72 48.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 44' ' ' PRO . 55.8 mt -127.01 142.64 44.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 125.74 9.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 34' ' ' LYS . 8.3 mt -49.68 -56.63 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.58 -30.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' ILE . 1.7 m120 -93.88 -43.58 8.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.654 ' HG2' HG22 ' A' ' 43' ' ' ILE . 10.7 mt-30 -50.78 144.4 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 31.5 m -135.08 104.34 5.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.536 HD23 ' CE ' ' A' ' 34' ' ' LYS . 1.7 mm? -87.48 125.07 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -158.34 141.31 14.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.2 p -89.95 34.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -135.64 145.88 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -80.52 -16.66 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.2 -25.56 67.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.615 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -49.99 -46.04 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 13' ' ' ARG . 36.0 mt -56.25 -27.7 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.37 -47.22 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -43.13 110.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -22.61 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.03 163.84 23.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -24.67 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.841 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -81.0 -31.99 34.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.423 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t0 -61.85 -46.81 87.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.13 -23.79 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 63' ' ' SER . 22.3 mt -73.98 -15.18 61.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.54 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 85.1 m-85 -96.07 101.12 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -121.63 34.44 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -38.15 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.679 ' CG ' HD11 ' A' ' 81' ' ' LEU . 47.2 mtp -132.2 45.56 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.52 -36.18 22.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.18 119.64 73.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.39 20.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -94.94 3.66 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -87.75 140.02 29.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.9 mpt_? -92.02 147.33 23.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.651 ' CG2' HD12 ' A' ' 33' ' ' LEU . 6.5 pt -60.56 -17.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.6 p -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -52.31 -29.45 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.88 HD12 HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -110.16 -19.36 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 t30 63.83 55.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -75.8 97.78 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -88.63 174.31 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -64.2 96.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.13 -20.51 4.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 63.7 m -45.83 164.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 1.8 tpt -114.71 145.08 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.988 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -153.39 159.21 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.5 m-85 -125.08 131.52 53.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLN . 34.2 tp -112.24 111.67 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.615 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -116.23 120.11 37.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -132.31 175.22 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.58 138.21 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.36 -173.51 53.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.71 -177.29 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -84.51 161.45 20.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.396 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.477 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.1 ttp -112.35 131.48 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 9' ' ' MET . 0.3 OUTLIER -113.22 128.14 56.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.708 ' HG2' HD11 ' A' ' 18' ' ' LEU . 2.6 ttt180 -80.62 118.39 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 69.8 t -114.19 108.56 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.669 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -83.98 125.86 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -116.26 161.93 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -65.73 -17.14 64.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.9 -13.59 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.09 -154.87 25.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.708 HD11 ' HG2' ' A' ' 11' ' ' ARG . 2.4 tp -110.07 129.64 55.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.37 158.49 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 143.0 51.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.797 HG21 HG13 ' A' ' 37' ' ' ILE . 48.9 t -131.46 147.49 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -98.52 132.64 43.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -117.18 -165.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 28' ' ' ILE . 52.8 m-20 -108.1 -42.35 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 161.2 -164.06 34.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.7 -18.36 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.569 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.3 pp -86.82 163.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -118.75 169.91 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 34' ' ' LYS . 56.0 t -49.09 -38.43 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -53.66 -50.32 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.14 -38.5 75.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 37' ' ' ILE . 7.5 tp -57.9 -56.29 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 30' ' ' VAL . 53.2 mttt -53.41 -68.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LYS . 16.2 m -34.63 -50.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.65 -60.17 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HG21 ' A' ' 21' ' ' VAL . 2.9 mp -64.36 -49.5 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -46.14 -31.72 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 t0 -90.77 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.525 ' CD ' HG13 ' A' ' 21' ' ' VAL . 27.0 mt-30 -46.95 -55.67 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 9.6 mt -77.81 -17.78 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 64.98 55.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 93' ' ' TYR . 17.9 mt -131.56 141.97 43.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.95 129.17 12.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -47.22 -59.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.9 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -92.37 -45.79 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.708 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.5 mt-30 -50.58 140.48 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 47.9 m -133.73 113.53 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.5 mm? -94.42 130.68 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -162.53 147.81 12.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -103.03 36.5 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 10.4 t-20 -134.85 141.75 46.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -21.26 61.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.57 -17.0 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.66 -44.05 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.5 mt -63.72 -24.29 67.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.37 -47.76 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.21 119.29 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -111.16 -28.76 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -99.04 174.54 3.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.88 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -54.76 -39.38 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.531 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -59.73 -45.77 91.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 11.4 m-85 -63.63 -25.52 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -68.33 -16.33 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.78 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -93.74 111.39 23.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.6 p -140.67 47.76 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.54 -42.46 20.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.875 ' HG2' HD11 ' A' ' 81' ' ' LEU . 29.5 mtp -119.67 56.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.74 -24.1 16.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.3 121.24 83.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.51 19.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -96.01 9.96 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.567 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -92.63 143.25 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 151.58 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.471 HG21 HD22 ' A' ' 33' ' ' LEU . 9.3 pt -68.59 -24.64 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -21.93 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.22 -3.35 53.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 61.88 65.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -101.05 128.8 46.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -123.95 175.96 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CD2' ' H ' ' A' ' 9' ' ' MET . 9.8 t-160 -67.13 71.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 147.51 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -112.19 167.34 10.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.449 ' C ' HG23 ' A' ' 89' ' ' VAL . 3.3 tpt -105.93 143.71 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 88' ' ' MET . 75.4 t -154.2 152.05 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 86.1 m-85 -120.13 128.3 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 15.8 tp -113.09 119.44 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.636 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -119.59 122.57 41.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.666 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.4 p90 -137.55 168.05 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.4 pt-20 -116.11 150.51 37.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 96' ' ' GLU . . . 70.07 25.43 75.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 44.1 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.259 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.92 -166.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 23' ' ' VAL . 92.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ttp -98.52 136.84 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' OG ' ' A' ' 87' ' ' SER . 41.5 mt -119.12 158.64 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -111.9 105.25 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.5 m -93.31 155.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.872 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -124.69 122.77 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 170.55 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -72.02 -15.08 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.46 -24.02 19.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.53 168.43 16.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 tp -72.82 122.73 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 21.6 mt-10 -118.89 153.2 34.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -118.52 145.89 44.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 ' CG1' ' A' ' 37' ' ' ILE . 59.6 t -137.23 145.91 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -98.09 131.3 44.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' THR . 7.5 m -129.08 -167.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' C ' ' NE2' ' A' ' 27' ' ' HIS . 1.6 m-20 -103.04 -45.0 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 158.68 -149.85 20.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -31.96 5.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -45.54 -24.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -91.53 152.83 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.808 HG22 ' HG3' ' A' ' 77' ' ' ARG . 58.1 p -110.4 168.96 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.94 HG12 ' HD2' ' A' ' 34' ' ' LYS . 72.1 t -48.61 -38.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -55.73 -53.01 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.02 -31.12 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD22 HG21 ' A' ' 78' ' ' ILE . 6.6 tp -67.8 -58.08 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.94 ' HD2' HG12 ' A' ' 30' ' ' VAL . 31.8 mttt -49.49 -47.4 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -52.2 -39.7 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.7 mt -64.42 -69.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.866 ' CG1' HG21 ' A' ' 21' ' ' VAL . 3.1 mt -54.9 -19.85 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.15 -33.98 63.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.74 -40.6 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 27.6 mt-30 -65.34 -60.61 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD22 ' OE2' ' A' ' 19' ' ' GLU . 15.4 mt -80.7 -2.28 46.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 52.71 51.73 15.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.809 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.1 mt -123.62 144.42 44.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.809 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 133.95 17.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 34' ' ' LYS . 7.3 mt -55.77 -58.39 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -39.36 -29.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ILE . 18.5 m-20 -91.11 -45.78 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' A' ' 43' ' ' ILE . 22.0 mt-30 -47.62 137.14 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 24.3 m -135.52 106.09 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.2 mm? -85.12 136.92 33.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 56' ' ' LEU . 3.7 t -159.45 128.24 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.497 HG21 ' HG ' ' A' ' 81' ' ' LEU . 22.6 p -88.48 38.07 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.39 126.61 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -58.33 -20.52 44.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 17.2 m-20 -55.78 -22.96 27.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -52.54 -47.57 66.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 13' ' ' ARG . 20.8 mt -64.3 -20.53 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.48 -31.84 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -66.31 120.78 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -112.33 -28.6 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -84.65 157.5 60.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.11 19.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -84.88 -31.62 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.644 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.0 t0 -66.03 -44.95 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.0 m-85 -53.6 -22.68 9.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' THR . 9.3 mt -80.24 -18.37 49.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' ASP . . . -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 71.1 m-85 -98.42 94.92 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 66' ' ' LEU . 76.8 p -120.32 44.95 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.73 -31.35 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' HD22 ' A' ' 76' ' ' LEU . 92.4 mtp -128.38 37.16 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.3 -30.47 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.83 123.86 88.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.1 18.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.83 1.21 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.633 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.16 145.73 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.808 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.8 mpt_? -104.79 151.17 24.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.54 HG21 HD22 ' A' ' 33' ' ' LEU . 5.3 pt -67.34 -9.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -67.08 -25.14 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -63.61 -27.74 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.721 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -95.79 -22.31 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 74.36 33.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.509 HD23 ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -58.54 101.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.49 171.69 9.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -58.52 100.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.07 24.27 7.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.461 ' OG ' HD22 ' A' ' 10' ' ' LEU . 65.3 p -72.72 -175.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.445 ' C ' HG23 ' A' ' 89' ' ' VAL . 4.7 tpt -123.02 142.03 51.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' ARG . 83.1 t -154.35 160.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.7 m-85 -126.42 132.81 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' ILE . 24.7 tp -111.79 117.23 32.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -117.69 125.42 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.6 p90 -143.75 171.8 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.64 136.42 52.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.61 176.5 49.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.31 -175.84 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -85.66 165.02 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -79.81 148.91 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -134.07 166.31 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -108.78 111.86 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.66 100.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -80.02 123.2 27.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 p -121.34 155.43 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -55.27 -22.71 19.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -39.29 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.58 168.67 29.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.78 103.62 5.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -105.19 160.44 15.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -121.88 152.75 39.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.876 HG13 ' CD ' ' A' ' 40' ' ' GLN . 47.8 t -150.51 146.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -91.78 145.35 24.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 8' ' ' THR . 14.3 m -132.91 -165.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.4 m-20 -103.2 -62.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 171.61 -158.01 28.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.84 -17.62 9.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.589 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -93.31 166.62 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -120.6 165.76 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.1 t -45.13 -36.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -55.41 -56.83 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.02 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 7.8 tp -64.76 -51.15 63.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 50' ' ' LEU . 27.8 mttt -55.18 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.75 -46.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.0 mt -55.15 -70.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.729 HG22 ' OE1' ' A' ' 48' ' ' GLN . 2.1 mp -55.84 -41.25 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.63 -33.52 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -58.76 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.876 ' CD ' HG13 ' A' ' 21' ' ' VAL . 29.2 mt-30 -50.3 -55.49 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.703 ' CG ' HG23 ' A' ' 37' ' ' ILE . 11.0 mt -79.27 -16.0 57.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 64.81 53.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 93' ' ' TYR . 29.0 mt -128.98 141.97 43.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 130.6 13.43 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.3 mt -48.29 -58.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.17 -30.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 2.0 m120 -92.2 -45.01 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.729 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.8 mt-30 -54.17 137.7 40.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.488 ' H ' HD12 ' A' ' 91' ' ' LEU . 23.1 m -134.59 114.97 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.4 mm? -91.95 135.38 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.479 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.6 t -163.02 153.42 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' HD13 ' A' ' 81' ' ' LEU . 1.2 p -102.93 33.62 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.2 146.82 39.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -79.52 -18.42 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HA ' ' CD1' ' A' ' 58' ' ' LEU . 60.3 m-20 -66.39 -15.86 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -64.23 -43.98 93.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 13' ' ' ARG . 33.3 mt -55.44 -20.68 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 12.5 mt -74.99 -46.32 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -49.19 110.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -24.95 10.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 p -92.65 155.0 42.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -95.44 -23.54 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.54 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 t0 -81.69 -42.9 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.504 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 14.6 m-85 -54.88 -18.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.49 -14.46 59.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.47 60.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.2 m-85 -103.52 101.1 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 p -123.75 60.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 -28.6 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 81' ' ' LEU . 33.1 mmm -129.69 33.57 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.12 -45.03 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -56.78 120.14 35.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.14 18.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -89.49 -6.99 55.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.581 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -76.36 141.02 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -98.9 152.22 20.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -64.35 -14.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -63.43 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.4 t -61.52 -34.2 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -104.64 -12.04 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.6 m120 62.22 69.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 89' ' ' VAL . 63.7 mt -101.24 122.6 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.49 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -50.59 110.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.48 -26.52 9.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 m -48.28 169.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.1 tpt -121.34 144.5 48.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 83' ' ' LEU . 97.2 t -154.2 156.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.492 ' HD1' HD11 ' A' ' 57' ' ' LEU . 87.5 m-85 -118.6 159.93 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 37' ' ' ILE . 22.2 tp -145.25 121.13 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 56' ' ' LEU . . . -122.67 119.93 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.661 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.8 p90 -134.55 177.0 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -123.06 158.38 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 96' ' ' GLU . . . 64.04 30.24 77.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 95' ' ' GLY . 3.2 pt-20 39.98 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -82.32 165.55 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 9' ' ' MET . 12.2 tmm? -96.11 139.08 32.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -122.98 157.92 31.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.64 110.17 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -105.53 97.95 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 p -123.34 154.25 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.61 -36.26 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.28 -33.7 74.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.6 -172.77 37.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 19' ' ' GLU . 2.2 tm? -90.85 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.713 ' N ' HD13 ' A' ' 18' ' ' LEU . 13.2 mt-10 -138.23 157.15 46.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -116.24 141.94 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HG13 ' A' ' 37' ' ' ILE . 99.6 t -134.62 147.49 29.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -98.39 132.25 44.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 m -125.38 -167.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.0 m-20 -104.89 -64.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 177.05 -155.32 17.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.581 1.176 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.69 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.796 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.43 -17.92 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.38 161.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.1 p -116.58 171.46 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.793 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.5 t -50.07 -37.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -54.46 -54.42 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -66.01 -30.59 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.8 tt -65.61 -54.93 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.793 ' HD2' HG12 ' A' ' 30' ' ' VAL . 35.6 mttt -55.71 -65.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.5 m -36.06 -44.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.56 -70.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.828 HG13 HG21 ' A' ' 21' ' ' VAL . 1.5 mp -54.01 -37.79 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.87 -32.2 67.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.98 -54.64 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.562 ' CD ' HG13 ' A' ' 21' ' ' VAL . 22.1 mt-30 -55.3 -55.26 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -79.31 -14.46 58.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.01 55.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.5 mt -132.18 142.73 46.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -48.99 -57.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.27 -29.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 23.8 m-20 -94.24 -42.74 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.637 ' OE1' HG22 ' A' ' 37' ' ' ILE . 10.4 mt-30 -51.48 142.26 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 18.0 m -134.82 105.33 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.1 mm? -89.12 130.85 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' HB3' HD22 ' A' ' 56' ' ' LEU . 6.3 t -161.43 139.64 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.749 ' CG2' HD13 ' A' ' 81' ' ' LEU . 17.9 p -88.9 35.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 134.37 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -74.81 -13.53 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -71.39 -9.28 57.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 49' ' ' THR . 12.4 tp -62.87 -46.69 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.512 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 9.9 mp -55.43 -21.06 14.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.75 -36.87 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.657 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -53.85 120.85 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.6 -32.12 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -97.68 175.05 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -74.08 -32.02 63.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -74.78 -20.75 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 12.5 m-85 -90.24 -34.33 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.68 -28.55 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' N ' HD12 ' A' ' 66' ' ' LEU . . . -57.34 -20.82 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.85 97.18 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 22.6 p -121.91 68.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -98.99 -40.57 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.619 ' CG ' HD11 ' A' ' 81' ' ' LEU . 56.9 mtp -122.72 42.25 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.68 -41.03 24.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.15 119.09 49.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.33 19.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -94.45 7.93 43.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -89.89 140.99 29.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.542 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.1 mpp_? -92.29 151.48 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.65 ' CG2' HD12 ' A' ' 33' ' ' LEU . 4.9 pt -64.32 -17.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -63.54 -24.97 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -53.4 -36.36 61.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.765 HD12 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -106.75 -11.59 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.79 69.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.765 HD21 HD12 ' A' ' 81' ' ' LEU . 2.4 mm? -91.07 104.07 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.31 172.95 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.613 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -22.32 22.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -44.98 168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.1 tpt -111.98 145.06 40.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 61.7 t -151.69 150.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 94.6 m-85 -123.32 138.83 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 37' ' ' ILE . 14.0 tp -122.69 151.24 41.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.533 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -150.35 131.87 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -143.35 160.08 41.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.7 OUTLIER -98.98 136.31 39.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 90.31 -127.19 8.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.15 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -80.47 167.13 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.384 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 m -124.84 143.8 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -107.42 136.59 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.7 -70.64 0.31 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -63.47 134.14 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -105.53 122.42 45.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.59 162.39 43.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.1 m -114.78 135.07 54.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 1.6 ttp -127.82 138.07 52.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 17.6 mt -123.12 156.22 35.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' SD ' ' A' ' 88' ' ' MET . 15.7 mtt180 -107.19 106.81 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -96.99 147.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.817 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.97 123.92 46.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.66 173.78 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.32 -27.14 63.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -78.25 -29.25 48.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.35 169.25 19.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.36 125.05 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 24.3 mt-10 -122.05 167.92 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -131.39 148.44 52.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.798 HG21 ' CG1' ' A' ' 37' ' ' ILE . 98.4 t -136.01 149.16 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD13 ' A' ' 36' ' ' LEU . 5.9 t -96.14 133.49 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.7 m -127.14 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.712 ' OD2' HG21 ' A' ' 28' ' ' ILE . 2.4 m-20 -109.13 -50.77 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.61 -161.47 34.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.95 -24.57 12.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.63 -17.79 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.626 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 ' OD2' ' A' ' 24' ' ' ASP . 1.2 pp -87.82 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -108.48 166.88 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.825 ' CG2' HD23 ' A' ' 76' ' ' LEU . 70.7 t -48.45 -37.74 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -56.26 -44.47 79.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.93 -32.99 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.5 tp -63.67 -69.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.818 ' HE3' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -41.68 -46.54 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -53.91 -44.69 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 22' ' ' SER . 18.1 mt -59.14 -52.6 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.798 ' CG1' HG21 ' A' ' 21' ' ' VAL . 1.4 mp -67.46 -22.48 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' LYS . 3.6 tt0 -78.06 -27.9 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -95.14 -14.45 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.572 ' NE2' HG13 ' A' ' 21' ' ' VAL . 67.6 mt-30 -103.2 -60.79 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.604 HD12 HD22 ' A' ' 91' ' ' LEU . 20.9 mt -77.62 -6.29 53.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 55.1 mm-40 57.22 31.95 20.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.762 HG23 ' HD2' ' A' ' 44' ' ' PRO . 89.3 mt -102.94 143.43 26.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 144.43 30.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.43 -30.27 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 10.6 p-80 -70.37 -6.57 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 38.4 m-20 -117.98 -41.2 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.624 ' HG3' HG22 ' A' ' 43' ' ' ILE . 36.2 mt-30 -46.37 135.35 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 28.3 m -135.18 101.92 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.818 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.0 mm? -85.61 142.27 29.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 56' ' ' LEU . 7.9 t -163.39 134.94 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.853 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.9 p -90.71 31.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.54 137.84 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -71.45 -10.32 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' HD12 ' A' ' 58' ' ' LEU . 17.4 m-20 -66.05 -12.93 58.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 51' ' ' SER . 17.8 tp -67.81 -31.84 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.817 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -72.33 -5.93 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.512 HD12 ' OD1' ' A' ' 55' ' ' ASN . 35.4 mt -91.5 -42.21 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -52.81 121.52 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -110.65 -28.88 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.86 175.02 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.1 Cg_endo -75.02 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -56.64 -39.38 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.762 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t0 -55.45 -48.56 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 10.8 m-85 -61.52 -28.73 69.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 63' ' ' SER . 56.6 mt -66.77 -11.07 53.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.45 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 61.5 m-85 -96.23 100.08 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -124.27 53.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.89 -35.09 8.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 81' ' ' LEU . 69.6 mtp -124.1 45.51 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.07 -36.75 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 34.4 t70 -65.56 124.21 86.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.2 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.8 -7.13 47.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.825 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -75.68 143.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -101.39 147.64 26.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 19.6 pt -60.84 -24.08 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -20.63 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 t -59.31 -34.5 72.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.853 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -105.31 -17.51 14.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.47 75.05 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.3 mm? -99.75 118.06 35.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -110.79 170.69 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -60.7 84.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 150.5 -34.91 0.96 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLY . 15.5 m -41.59 163.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 11' ' ' ARG . 7.7 tpp -117.4 151.31 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' ARG . 55.2 t -149.45 163.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.0 m-85 -125.19 124.85 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.604 HD22 HD12 ' A' ' 41' ' ' LEU . 14.3 tp -98.52 155.22 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -157.51 120.26 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.462 ' CD1' HD13 ' A' ' 43' ' ' ILE . 37.3 p90 -133.1 156.38 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.72 147.82 23.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.99 -119.57 8.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.98 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -163.71 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.6 p -122.92 -165.34 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -103.73 134.83 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.95 173.78 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.06 139.51 2.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.7 t -169.31 136.76 1.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.02 95.96 0.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.37 7.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 t -139.25 134.6 32.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 113.12 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.461 1.1 . . . . 0.0 110.979 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 m 44.37 80.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -137.2 143.36 42.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.61 151.16 23.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -110.34 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -136.25 128.82 30.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.13 -130.79 10.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -93.38 137.56 32.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.793 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -117.5 149.79 40.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.6 mt -130.76 149.98 52.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.697 ' HD3' HD21 ' A' ' 18' ' ' LEU . 4.7 mtt180 -107.85 101.68 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.6 m -90.94 155.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.99 124.1 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 p -120.85 162.58 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -49.84 -41.3 44.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -61.47 -44.44 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.11 -129.56 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 12' ' ' VAL . 2.0 tp -123.81 131.48 53.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 12' ' ' VAL . 27.6 mt-10 -123.39 159.81 28.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 148.99 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.801 HG21 HG13 ' A' ' 37' ' ' ILE . 36.2 t -142.96 155.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -99.05 134.41 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.3 m -124.61 -166.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.901 ' OD1' HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -103.66 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . -176.1 -162.55 27.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HA ' HD11 ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.01 -24.65 12.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -56.04 -18.16 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.901 HG21 ' OD1' ' A' ' 24' ' ' ASP . 1.2 pp -89.08 151.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -104.03 170.84 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.653 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.7 t -52.06 -39.27 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -43.09 71.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -72.08 -33.09 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 37' ' ' ILE . 2.9 tt -65.78 -73.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HD2' HG13 ' A' ' 30' ' ' VAL . 1.6 mttt -39.94 -43.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -55.44 -48.3 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 23' ' ' VAL . 11.4 mt -57.96 -59.23 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.801 HG13 HG21 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.86 -29.26 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -69.78 -23.74 63.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.72 -35.28 12.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.522 ' CD ' HG13 ' A' ' 21' ' ' VAL . 59.6 mt-30 -83.2 -59.66 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 55.5 58.97 4.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.634 HG22 ' HG2' ' A' ' 48' ' ' GLN . 37.6 mt -135.35 141.89 39.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.99 125.85 9.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -49.66 -56.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.68 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ILE . 31.8 m-20 -93.88 -41.44 9.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.634 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.6 mt-30 -55.03 138.21 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.929 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 98.0 m -135.57 98.82 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 ' HE1' ' A' ' 71' ' ' MET . 15.6 mt -85.47 142.0 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 56' ' ' LEU . 4.9 t -162.47 141.69 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 81' ' ' LEU . 2.0 p -89.7 35.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.86 126.0 15.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.68 -15.73 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -64.24 -14.58 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.851 HD21 ' O ' ' A' ' 49' ' ' THR . 23.2 tp -65.43 -32.73 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 13' ' ' ARG . 10.7 mt -70.66 -7.5 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.08 -42.49 12.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.713 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.23 118.77 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.58 -26.41 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -95.33 175.28 2.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.05 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.879 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -58.76 -34.54 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.713 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.7 t0 -59.76 -45.41 92.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -66.4 -19.37 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -76.64 -17.07 59.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.99 69.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HE1' ' HB2' ' A' ' 59' ' ' ALA . 70.9 m-85 -90.73 91.76 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.2 p -115.67 59.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -39.38 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.586 ' O ' HG11 ' A' ' 30' ' ' VAL . 83.3 mtp -127.48 33.87 4.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.1 -34.48 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.0 t70 -68.67 122.89 86.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -18.61 18.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -90.26 -1.94 57.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.653 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -83.13 136.26 34.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -94.55 152.45 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 26' ' ' PRO . 2.4 pt -65.39 -20.01 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -66.88 -13.79 62.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -65.9 -32.31 73.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -107.57 -16.42 14.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.2 t30 71.75 61.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 mm? -87.44 107.06 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.54 171.3 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.29 108.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.578 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.03 -10.26 13.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -57.48 173.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.553 ' HE1' HD13 ' A' ' 18' ' ' LEU . 5.7 tpt -113.1 145.34 41.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' A' ' 88' ' ' MET . 33.9 t -151.8 155.0 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.0 130.77 53.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.49 155.21 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.929 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -151.39 126.59 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.6 p90 -145.49 147.65 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.3 pt-20 -90.99 135.18 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.24 176.06 37.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.102 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.86 -172.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -88.26 165.13 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 p -86.96 -168.43 2.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.93 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -51.39 162.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.66 139.22 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -100.49 -68.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 159.74 170.43 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.5 87.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.6 m -79.18 110.66 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -113.94 141.54 47.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.68 92.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.05 -152.32 7.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -97.56 144.71 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -150.68 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.38 -94.54 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 m -114.34 150.24 34.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.2 ttp -127.45 133.29 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.16 156.06 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -103.86 121.27 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 37' ' ' ILE . 78.9 t -107.94 95.44 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -83.51 128.71 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.507 ' O ' HD21 ' A' ' 57' ' ' LEU . 86.7 p -109.37 176.73 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 9.4 mtp-105 -34.64 -59.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -140.51 37.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.15 109.5 0.5 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -100.19 97.37 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.97 167.03 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.14 153.44 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG21 ' CG1' ' A' ' 37' ' ' ILE . 43.8 t -137.52 145.29 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -98.62 133.32 43.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.038 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -122.56 -165.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 55.5 m-20 -105.27 -37.33 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 155.33 -157.16 27.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.51 11.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -55.1 -18.24 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -88.99 151.68 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -107.54 171.77 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 71' ' ' MET . 54.3 t -52.66 -38.49 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -55.4 -45.99 76.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -72.27 -30.43 64.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.65 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.65 -51.3 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -48.73 -45.8 40.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.7 mt -57.48 -70.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.886 ' CG1' HG21 ' A' ' 21' ' ' VAL . 4.6 mt -51.62 -33.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -61.65 -29.49 70.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 2.6 t70 -92.09 -57.83 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.663 ' NE2' HG13 ' A' ' 21' ' ' VAL . 38.4 mt-30 -53.53 -58.15 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.5 mt -76.86 -12.26 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.8 mm-40 59.42 54.73 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 44' ' ' PRO . 42.3 mt -128.42 142.07 43.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 132.99 16.07 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.5 mt -48.86 -58.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.26 -28.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 16.2 m-20 -93.93 -46.21 7.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.758 ' OE1' HG22 ' A' ' 37' ' ' ILE . 17.7 mt-30 -53.44 132.38 39.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.765 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.9 m -135.04 100.44 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 33' ' ' LEU . 15.7 mt -86.01 143.36 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.697 ' HB3' HD22 ' A' ' 56' ' ' LEU . 11.8 t -162.37 144.62 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.76 HG21 HD13 ' A' ' 81' ' ' LEU . 6.1 p -90.88 22.58 3.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -126.87 112.44 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.48 -19.52 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 14.6 m-80 -61.1 -16.72 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 51' ' ' SER . 25.2 tp -59.3 -46.43 88.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 14' ' ' SER . 11.1 mp -53.52 -23.05 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -72.89 -49.28 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.693 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -41.22 122.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -110.02 -29.68 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.94 172.98 4.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.769 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.9 p -61.85 -33.21 73.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.653 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -60.26 -45.21 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 14.7 m-85 -65.05 -22.95 67.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 63' ' ' SER . 77.9 mt -71.27 -17.03 62.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.32 63.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.82 99.81 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -126.34 65.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -28.1 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 81' ' ' LEU . 78.3 mtp -133.2 32.18 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.64 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 44.6 t0 -63.96 123.12 80.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.35 6.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 73' ' ' ASP . 15.9 p30 -84.72 7.23 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -92.81 139.78 30.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -94.26 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 33' ' ' LEU . 16.6 pt -69.93 -23.15 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.8 p -54.77 -26.09 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.8 t -55.63 -28.79 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -110.41 -13.06 14.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 66.21 70.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 81' ' ' LEU . 92.1 mt -104.85 108.63 20.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.23 171.26 8.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.1 t60 -43.03 123.26 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.71 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -48.29 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.3 tpt -123.72 146.04 48.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' MET . 10.2 t -152.08 144.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 77.5 m-85 -112.67 159.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.734 HD12 ' H ' ' A' ' 92' ' ' ALA . 13.0 tp -131.19 157.34 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.765 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.14 120.09 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 5.4 p90 -130.47 162.64 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -103.63 136.04 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 80.65 -120.52 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.07 -175.3 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -85.32 169.15 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.9 p -89.87 -167.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.79 119.13 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.39 158.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -164.21 -125.45 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.0 165.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.96 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.02 116.95 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.439 1.087 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 111.35 3.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 120.11 38.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.29 113.69 27.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 48.22 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.75 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 114.39 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.36 104.77 0.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -76.05 127.93 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -63.62 -60.23 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.952 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.65 -108.96 0.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.6 m -116.96 111.56 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.453 ' C ' HD22 ' A' ' 10' ' ' LEU . 1.1 ttp -107.07 131.9 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -109.94 123.57 49.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 102.46 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.017 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.6 m -94.73 155.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -121.12 124.91 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.21 153.07 36.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -53.67 -29.04 36.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.4 -24.13 46.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.22 -176.27 32.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.01 129.28 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.9 mt-10 -125.19 151.94 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -119.96 141.22 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.778 HG21 HG13 ' A' ' 37' ' ' ILE . 92.3 t -135.96 146.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -96.5 137.4 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.13 -166.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 83.1 m-20 -105.25 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.43 -159.11 29.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.87 12.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.17 -18.2 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -93.58 162.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 28' ' ' ILE . 36.3 p -113.95 178.46 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.687 HG12 ' HD2' ' A' ' 34' ' ' LYS . 42.4 t -58.69 -37.56 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.5 p -55.1 -45.93 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -72.81 -30.35 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.9 -58.77 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.769 ' CG ' HD23 ' A' ' 50' ' ' LEU . 67.8 mttt -52.81 -47.72 67.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -51.97 -40.63 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.73 -66.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.778 HG13 HG21 ' A' ' 21' ' ' VAL . 1.7 mp -55.25 -29.65 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.42 -30.54 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.5 -41.39 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.723 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.5 mt-30 -69.64 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.687 ' CG ' HG23 ' A' ' 37' ' ' ILE . 13.4 mt -76.56 -10.2 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 100' ' ' ARG . 40.5 mm-40 60.11 52.54 5.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.0 mt -126.61 141.31 39.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.3 Cg_endo -74.96 130.25 13.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.18 -33.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -64.59 -11.03 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 39.6 m-20 -115.98 -42.96 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.765 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.3 mt-30 -49.79 139.39 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.839 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.53 108.41 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.769 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.0 mm? -94.06 140.78 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.512 ' CB ' HD13 ' A' ' 56' ' ' LEU . 14.4 t -161.62 162.72 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.761 HG21 HD13 ' A' ' 81' ' ' LEU . 49.7 p -113.32 33.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.01 140.91 40.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -72.39 -16.74 61.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 85.0 m-20 -65.19 -12.16 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 68' ' ' PHE . 15.8 tp -56.4 -49.82 73.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.9 mp -66.31 -11.5 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.98 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.94 -26.88 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -71.18 120.71 17.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -111.32 -29.37 7.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 166.08 23.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.85 3.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 66' ' ' LEU . 41.4 m -73.17 -28.51 62.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.633 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.26 -44.25 92.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.677 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 28.0 m-85 -64.99 -18.42 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.1 mt -75.63 -3.46 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.43 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 56' ' ' LEU . 39.6 m-85 -90.49 93.39 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.6 p -112.61 44.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -49.07 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -113.39 35.95 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.85 -31.01 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -77.47 121.43 84.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -20.12 17.2 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -92.88 8.41 39.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 141.04 29.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.27 151.34 19.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 33' ' ' LEU . 5.0 pt -71.51 -16.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 t -63.73 -19.74 65.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 t -64.85 -36.26 83.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.885 HD12 HD21 ' A' ' 83' ' ' LEU . 2.8 mt -91.87 -26.23 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 27.3 t30 80.08 43.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.06 138.67 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.29 168.84 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.36 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.17 -17.04 3.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m -52.31 171.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -121.52 144.53 48.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.017 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -150.91 161.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 97.9 m-85 -125.9 131.3 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 41' ' ' LEU . 8.5 tp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.839 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -144.81 124.14 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.5 p90 -140.43 165.49 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -101.56 137.03 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.85 178.66 8.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.05 -173.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -88.82 -166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.9 p -116.08 -174.75 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.16 141.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.439 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -60.46 145.28 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -158.3 149.45 19.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 98.5 p -152.72 145.19 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.04 103.17 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.69 6.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.0 m -152.69 173.66 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 t -99.67 145.67 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.945 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -121.24 97.51 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.74 78.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.39 70.85 0.51 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -66.32 137.98 57.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.47 100.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.65 -118.17 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -109.21 136.31 48.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 17.0 tmm? -111.64 148.39 33.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 10' ' ' LEU . 9.3 mt -129.23 147.62 51.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -106.23 101.09 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -90.46 155.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.88 124.11 42.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 p -119.01 151.27 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -41.78 -39.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.53 -50.02 73.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.13 -129.95 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -128.5 131.67 48.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.654 ' OE1' HD22 ' A' ' 41' ' ' LEU . 23.1 mt-10 -124.02 159.7 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 147.79 47.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.832 HG21 HG13 ' A' ' 37' ' ' ILE . 35.1 t -141.02 155.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -101.22 131.98 46.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.45 -164.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.98 -62.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.73 -155.01 20.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.41 -17.99 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.57 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -91.47 167.63 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -123.76 165.36 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 71' ' ' MET . 75.5 t -48.29 -31.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.5 p -60.3 -46.4 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -75.62 -37.5 59.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' A' ' 78' ' ' ILE . 8.0 tp -59.74 -55.76 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.647 ' HD2' HG12 ' A' ' 30' ' ' VAL . 23.6 mttt -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.3 mt -55.29 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.832 HG13 HG21 ' A' ' 21' ' ' VAL . 1.9 mp -52.73 -36.57 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.05 -31.95 67.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 6.7 t70 -89.24 -59.62 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CD ' HG13 ' A' ' 21' ' ' VAL . 23.1 mt-30 -52.06 -56.25 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.786 HD12 HG23 ' A' ' 37' ' ' ILE . 13.5 mt -77.97 -10.63 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 57.75 52.56 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -126.92 142.07 42.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.6 mt -47.24 -58.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -93.58 -43.43 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.763 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.5 mt-30 -56.1 133.87 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.3 m -134.76 99.1 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.485 ' HB3' ' HE2' ' A' ' 71' ' ' MET . 9.1 mt -86.03 136.85 33.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.591 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.7 t -161.77 150.75 15.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' HD13 ' A' ' 81' ' ' LEU . 2.9 p -94.12 33.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -129.45 134.77 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -10.45 59.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.9 -12.8 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 49' ' ' THR . 12.8 tp -57.91 -42.53 84.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 13' ' ' ARG . 9.1 mp -59.93 -30.21 68.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -65.68 -50.26 65.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.67 121.33 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.74 -28.76 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.45 170.27 7.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.63 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.559 1.82 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.947 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -62.45 -31.97 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.06 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.703 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -63.1 -48.06 80.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 29.2 m-85 -62.56 -24.27 67.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' A' ' 63' ' ' SER . 71.8 mt -67.93 -11.0 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.23 -29.14 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 m-85 -100.11 104.5 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 p -126.19 50.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -96.32 -32.8 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.709 ' O ' HG11 ' A' ' 30' ' ' VAL . 7.3 mmm -123.17 31.78 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.27 -35.7 30.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.58 119.12 60.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.21 18.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -92.06 0.85 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.79 144.06 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -100.29 150.36 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.456 HG21 HD22 ' A' ' 33' ' ' LEU . 17.7 pt -64.56 -19.6 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -31.41 69.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -49.92 -36.28 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -100.04 -18.96 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 76.04 48.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 81' ' ' LEU . 38.8 mt -78.92 118.95 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.85 168.78 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -51.35 107.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.66 -30.26 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -45.16 167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.528 ' CE ' ' CD1' ' A' ' 18' ' ' LEU . 5.5 tpt -112.83 145.7 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 88' ' ' MET . 56.4 t -148.9 157.26 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.2 m-85 -125.26 130.23 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 tp -105.24 157.95 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.747 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.24 120.1 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.442 ' CB ' HG21 ' A' ' 43' ' ' ILE . 14.6 p90 -140.67 149.75 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.2 tt0 -96.94 136.51 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 70.72 162.49 4.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -84.29 167.21 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -74.04 -166.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 mt -101.92 136.81 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.06 161.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.75 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 t -164.34 156.97 17.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.29 -140.35 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 98.98 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.13 86.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 m -99.77 96.58 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -103.99 82.69 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -121.56 145.49 47.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.87 -177.22 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -70.34 147.1 50.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -66.36 -49.25 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.27 55.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -121.12 114.98 22.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -111.33 130.58 55.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.52 133.98 52.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.9 ttt180 -93.08 100.37 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.984 HG22 ' CG1' ' A' ' 89' ' ' VAL . 62.8 t -96.33 149.85 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.842 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.45 134.19 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -121.43 -174.72 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -93.58 27.02 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.19 27.9 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.77 174.85 19.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -89.66 129.5 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -113.05 147.69 36.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 146.57 34.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.872 HG21 HG13 ' A' ' 37' ' ' ILE . 60.3 t -139.72 157.68 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -106.26 130.32 54.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 24' ' ' ASP . 2.8 m -122.57 -164.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 23' ' ' VAL . 22.1 m-20 -115.28 -45.86 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 165.08 -161.12 34.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.94 -24.35 13.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.49 -18.49 7.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -88.11 151.4 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 77' ' ' ARG . 49.5 p -107.38 167.3 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.845 HG11 ' O ' ' A' ' 71' ' ' MET . 72.8 t -47.47 -39.0 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -42.83 80.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -75.32 -34.21 61.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.5 HD23 HD12 ' A' ' 37' ' ' ILE . 3.4 tt -62.6 -56.84 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HD2' HG12 ' A' ' 30' ' ' VAL . 33.1 mttt -53.47 -65.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.4 m -37.16 -48.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 23' ' ' VAL . 13.3 mt -52.77 -53.52 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.872 HG13 HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -67.3 -50.96 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -45.36 -27.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t70 -93.19 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' NE2' HG13 ' A' ' 21' ' ' VAL . 42.4 mt-30 -53.21 -56.07 19.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD12 HG23 ' A' ' 37' ' ' ILE . 13.7 mt -76.09 -17.07 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 59.0 mm-40 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -135.53 142.84 42.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 34' ' ' LYS . 6.3 mt -50.06 -43.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.61 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -49.07 -22.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.578 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ILE . 37.6 m-20 -104.26 -35.86 7.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG2' HG22 ' A' ' 43' ' ' ILE . 12.9 mt-30 -61.78 139.42 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.762 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.8 m -135.43 102.6 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.51 141.0 30.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.3 t -159.65 171.6 19.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -118.83 35.11 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.65 117.44 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.19 -20.4 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 49.4 m-80 -63.05 -13.84 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.746 HD21 ' O ' ' A' ' 49' ' ' THR . 40.8 tp -64.05 -29.81 70.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.842 HD11 ' HG2' ' A' ' 13' ' ' ARG . 29.4 mt -73.48 -12.78 60.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.3 -43.9 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.04 120.45 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -110.71 -29.92 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.0 171.4 7.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.56 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.847 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.0 t -61.23 -28.41 69.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.73 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -66.26 -46.77 75.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 18.4 m-85 -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 63' ' ' SER . 79.1 mt -71.46 -11.04 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.42 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 36.3 m-85 -102.85 101.7 11.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -128.37 61.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -40.3 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.845 ' O ' HG11 ' A' ' 30' ' ' VAL . 95.8 mtp -112.76 24.38 12.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.17 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -78.23 119.49 77.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.37 11.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -84.51 3.48 36.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.462 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -87.96 139.94 30.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HG3' HG22 ' A' ' 29' ' ' THR . 23.0 mtt180 -99.27 147.34 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 33' ' ' LEU . 29.6 pt -61.69 -15.0 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.2 p -67.98 -30.04 69.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -61.16 -31.44 71.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 71' ' ' MET . 0.6 OUTLIER -100.8 -8.0 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.85 71.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 87' ' ' SER . 33.3 mt -112.23 125.65 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.28 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -52.82 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.42 -14.28 4.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 83' ' ' LEU . 6.4 t -62.72 174.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -126.07 145.81 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.984 ' CG1' HG22 ' A' ' 12' ' ' VAL . 10.3 p -151.94 157.48 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.6 m-85 -124.7 134.14 52.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 48' ' ' GLN . 22.5 tp -106.56 158.8 16.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.762 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.7 119.97 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.4 p90 -142.84 150.43 39.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -95.62 135.74 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.8 176.94 46.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.17 -172.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -86.16 176.12 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -93.78 -168.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.6 145.12 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.92 157.51 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.77 121.68 1.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.2 m -68.13 -58.92 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.16 87.05 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.19 34.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 t -165.84 144.64 6.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.4 p -77.29 116.97 18.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -78.68 88.17 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.51 91.15 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.26 -157.12 14.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 167.41 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -104.75 -56.93 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.03 -156.66 0.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.4 m -92.17 141.16 28.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.4 ttp -121.71 136.52 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' ' HG2' ' A' ' 9' ' ' MET . 21.5 mt -120.44 156.4 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -96.87 120.22 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 91' ' ' LEU . 28.8 t -117.52 105.51 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -79.47 123.67 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -127.46 169.9 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -49.32 -54.74 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.26 -41.56 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.96 -114.07 0.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -129.13 103.91 7.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -101.92 155.71 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 156.68 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.681 HG21 HG12 ' A' ' 37' ' ' ILE . 39.6 t -142.19 146.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -96.35 132.83 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -119.46 -168.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.28 -47.03 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.1 -170.23 42.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.06 -25.12 12.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -20.64 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.4 pp -85.31 155.87 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 28' ' ' ILE . 45.0 p -101.28 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.516 ' CG2' HD23 ' A' ' 76' ' ' LEU . 37.9 t -53.04 -47.08 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 p -47.63 -49.02 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.24 -28.92 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -71.66 -54.51 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 50' ' ' LEU . 2.2 mtpm? -48.68 -61.07 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 m -41.45 -54.65 3.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.0 mt -45.43 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.825 HG22 ' OE1' ' A' ' 48' ' ' GLN . 6.4 mt -52.38 -44.78 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -54.31 -30.56 51.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t0 -87.73 -65.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.65 ' CD ' HG13 ' A' ' 21' ' ' VAL . 43.9 mt-30 -48.69 -55.34 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.4 mt -75.73 -17.89 59.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 77.5 mm-40 64.52 40.51 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 44' ' ' PRO . 59.7 mt -113.61 142.48 27.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 131.19 13.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.448 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -46.76 -60.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -39.79 -29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.4 m-20 -92.65 -47.06 7.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.825 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.1 mt-30 -51.3 136.38 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.4 m -135.09 104.93 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 34' ' ' LYS . 1.9 mm? -87.08 133.05 33.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -163.34 141.22 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.4 p -91.38 34.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -138.56 145.94 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 4.3 ptm180 -76.62 -25.9 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -51.02 -22.85 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -54.15 -39.56 66.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.786 HD11 ' HG2' ' A' ' 13' ' ' ARG . 14.7 mt -70.42 -22.43 62.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.45 -35.22 47.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.48 116.05 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -110.98 -25.9 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.11 162.06 33.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.07 12.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.0 -31.34 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 17.9 t0 -62.01 -46.95 86.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.87 -25.72 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 63' ' ' SER . 42.9 mt -69.45 -9.68 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.04 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 64.6 m-85 -93.52 95.8 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -118.9 46.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.41 -47.01 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.608 ' CG ' HD11 ' A' ' 81' ' ' LEU . 83.4 mtp -114.72 45.48 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.28 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -65.58 120.33 67.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.9 16.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -90.52 6.23 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -90.68 138.68 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -94.15 142.1 27.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.566 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 13.4 pt -57.33 -25.2 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t -57.02 -31.11 64.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -52.89 -43.19 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.608 HD11 ' CG ' ' A' ' 71' ' ' MET . 2.1 mt -89.91 -15.27 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.92 74.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.6 mt -107.82 119.17 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.3 165.36 17.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.8 t-160 -48.12 107.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.5 -35.97 2.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -44.85 169.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 13.9 tpt -120.78 147.43 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 88' ' ' MET . 98.0 t -153.74 154.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 54' ' ' ARG . 80.3 m-85 -115.59 157.68 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 37' ' ' ILE . 52.2 tp -139.94 120.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.611 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -122.12 120.33 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 4.4 p90 -131.98 169.4 16.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.6 tt0 -105.65 137.71 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.0 148.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.1 pt-20 -49.62 179.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -76.98 162.74 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 p -67.13 -166.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.73 154.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 52.81 72.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.89 -67.11 1.63 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.427 1.079 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -63.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.059 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.11 161.1 27.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.88 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.8 m -54.8 128.2 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.59 136.77 34.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.936 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -136.97 97.67 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -110.42 110.09 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.09 173.6 2.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.94 165.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -173.51 146.93 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.48 -166.63 17.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' VAL . 23.9 m -105.27 110.27 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -111.34 132.14 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 130.73 55.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.1 ttt180 -81.78 127.6 33.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -122.37 106.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.769 HH11 HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.84 135.21 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 59.3 p -129.77 162.64 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -14.04 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -93.57 -13.06 28.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.77 157.02 7.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.769 HD12 HH11 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -72.18 132.63 44.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 69.4 mt-10 -134.32 170.61 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.5 143.19 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.793 HG11 HG13 ' A' ' 37' ' ' ILE . 48.6 t -131.25 145.27 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.7 t -85.16 155.41 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' THR . 2.9 m -144.73 -164.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 28' ' ' ILE . 94.4 m-20 -122.75 -45.19 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.79 -163.57 35.87 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.09 13.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.574 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.07 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.566 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.17 148.79 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 77' ' ' ARG . 73.3 p -105.66 172.68 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' HD23 ' A' ' 76' ' ' LEU . 20.6 t -52.6 -37.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -56.53 -44.65 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -74.76 -32.15 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.0 OUTLIER -66.05 -61.3 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.704 ' CG ' HD23 ' A' ' 50' ' ' LEU . 69.1 mttt -49.49 -51.15 38.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -49.25 -47.18 46.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 22' ' ' SER . 14.5 mt -53.53 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.796 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.8 mp -53.13 -36.21 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -63.62 -29.82 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.354 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -92.07 -53.84 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.728 ' OE1' HG13 ' A' ' 21' ' ' VAL . 55.5 mt-30 -56.79 -59.45 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.7 mt -76.8 -9.51 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.7 mm-40 58.14 54.71 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.638 HD11 ' HE ' ' A' ' 97' ' ' ARG . 51.9 mt -127.45 142.4 43.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.08 128.06 11.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.2 mt -48.23 -57.32 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -40.45 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.5 m-20 -94.2 -45.82 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.796 ' OE1' HG22 ' A' ' 37' ' ' ILE . 14.0 mt-30 -49.58 141.94 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 39.1 m -134.54 105.21 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CG ' ' A' ' 34' ' ' LYS . 1.8 mm? -89.58 129.1 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.614 ' HB3' HD22 ' A' ' 56' ' ' LEU . 5.1 t -162.8 136.24 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 p -89.14 34.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.522 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 17.8 t-20 -128.69 113.48 15.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -54.79 -18.5 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 18.1 m120 -65.38 -11.35 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' SER . 13.6 tp -60.52 -47.7 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.4 -29.25 58.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 -48.98 63.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.82 119.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -22.7 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.465 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -106.36 176.1 1.81 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.97 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.958 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -49.31 -37.23 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.738 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 t0 -59.97 -54.23 48.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 23.2 m-85 -61.8 -22.59 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' ' 63' ' ' SER . 75.9 mt -70.81 -7.98 49.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.7 31.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.554 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 80.7 m-85 -99.9 119.27 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 p -149.16 49.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.12 -33.44 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.881 ' HG2' HD11 ' A' ' 81' ' ' LEU . 55.2 mtp -121.03 47.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.24 -34.34 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.07 120.11 77.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -18.57 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.83 -3.37 57.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -93.52 146.32 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG2' HD12 ' A' ' 33' ' ' LEU . 15.4 pt -57.6 -27.44 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 p -52.13 -31.51 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 t -55.0 -41.08 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.13 -25.21 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 44.9 t30 79.61 57.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.23 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -111.95 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -60.0 116.62 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.58 -20.44 27.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 41.5 m -52.38 161.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.968 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.453 ' C ' HG23 ' A' ' 89' ' ' VAL . 2.9 tpt -108.26 144.82 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 88' ' ' MET . 46.2 t -153.64 153.1 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.547 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 93.5 m-85 -122.5 140.63 52.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.34 153.82 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.35 124.49 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.9 p90 -142.01 173.08 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.4 pt-20 -113.87 146.24 40.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.22 171.01 7.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 179.07 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.638 ' HE ' HD11 ' A' ' 43' ' ' ILE . 39.7 mtt180 -81.07 173.56 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.9 p -90.53 -167.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.02 130.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -66.15 125.97 27.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.17 123.79 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -119.11 -59.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -159.1 21.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.62 90.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.41 131.1 47.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.035 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 m 61.43 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -63.07 115.3 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.93 117.86 4.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -75.35 158.89 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.29 158.97 38.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.06 -131.18 8.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 m -116.01 119.9 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 14.3 tmm? -104.73 147.93 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.7 mt -128.54 149.29 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -106.74 100.02 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.941 ' O ' HD22 ' A' ' 18' ' ' LEU . 2.6 m -90.83 139.64 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.732 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -107.67 122.01 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.4 p -124.98 171.72 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 5.9 ptp180 -64.9 -36.57 84.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.96 -11.09 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.51 175.88 14.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -71.68 134.27 46.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.1 mt-10 -129.6 155.12 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.05 156.85 28.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.705 HG13 ' NE2' ' A' ' 40' ' ' GLN . 60.9 t -153.92 145.39 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -95.92 133.66 39.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.4 -166.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.26 -58.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 173.58 -157.28 25.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -75.0 -26.48 10.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.482 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -54.49 -18.73 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -89.37 164.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -120.52 169.99 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 71' ' ' MET . 75.1 t -50.32 -39.42 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 p -52.79 -46.05 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -71.96 -36.44 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.06 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HG23 ' A' ' 45' ' ' ILE . 64.8 mttt -45.53 -49.13 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -50.76 -47.31 59.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.34 -67.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.808 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.9 mt -53.34 -35.6 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.08 -28.77 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.5 t70 -91.76 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.705 ' NE2' HG13 ' A' ' 21' ' ' VAL . 29.4 mt-30 -51.34 -56.74 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.76 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.4 mt -77.38 -13.94 59.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 69.3 mm-40 60.81 52.01 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 44' ' ' PRO . 48.7 mt -125.4 142.09 40.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 134.54 17.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.8 mt -51.69 -51.37 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -48.55 -22.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 25.3 m-20 -100.01 -45.69 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.808 ' OE1' HG22 ' A' ' 37' ' ' ILE . 22.1 mt-30 -55.34 132.36 47.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.52 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.9 m -135.12 103.59 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.445 HD21 HD13 ' A' ' 91' ' ' LEU . 16.5 mt -89.79 142.63 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 t -162.25 143.41 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 81' ' ' LEU . 2.4 p -89.56 36.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -145.83 127.08 14.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.1 ptt85 -57.48 -23.37 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.3 m120 -50.19 -24.28 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.884 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -50.56 -48.35 57.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.732 HD11 ' HG2' ' A' ' 13' ' ' ARG . 5.7 mt -65.13 -23.5 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.74 -36.29 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -64.8 119.49 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.28 -27.18 8.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -94.39 174.63 3.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.99 -49.84 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -56.66 -51.83 67.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 17.5 m-85 -59.47 -21.61 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 63' ' ' SER . 38.1 mt -77.61 -7.59 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.24 -26.8 52.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.74 107.61 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.8 p -133.32 44.13 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -100.54 -37.81 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.66 ' O ' HG11 ' A' ' 30' ' ' VAL . 81.9 mtp -116.75 26.67 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 34' ' ' LYS . . . -86.08 -39.11 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 30.4 t70 -59.24 120.85 51.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -17.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -92.68 1.59 57.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.85 144.7 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.84 157.58 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 4.6 pt -73.15 -33.98 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -57.13 -18.45 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -57.81 -31.18 66.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.742 HD12 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -105.1 -22.57 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 1.6 t30 81.86 56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.742 HD21 HD12 ' A' ' 81' ' ' LEU . 1.7 mm? -86.07 108.72 18.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -100.82 172.96 6.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.8 97.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.74 -22.39 4.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 74.7 m -43.95 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.8 tpt -109.08 145.22 36.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' ARG . 92.9 t -153.66 157.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.3 137.3 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD22 HG21 ' A' ' 37' ' ' ILE . 19.2 tp -117.34 115.32 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.884 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.09 119.8 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 43' ' ' ILE . 16.9 p90 -138.29 159.52 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.6 pt-20 -91.99 145.8 24.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.04 165.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.65 -179.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -75.2 157.79 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 p -63.47 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.25 135.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.21 138.61 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 124.98 103.51 1.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.38 116.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -169.62 135.64 3.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 57.92 4.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.5 p -131.48 134.54 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.5 t -56.44 130.4 44.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.39 142.62 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -154.08 -57.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.73 -122.94 1.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.23 157.25 20.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.52 127.23 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.85 -113.66 0.46 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m -133.24 135.08 44.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.482 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.9 tmm? -120.85 143.9 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 9' ' ' MET . 24.1 mt -132.11 155.86 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -103.2 116.56 32.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.7 t -103.88 108.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.661 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.72 133.78 40.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 17' ' ' GLY . 56.9 p -107.03 176.73 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.45 -45.97 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.97 36.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 14' ' ' SER . . . -151.28 112.28 0.53 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -94.13 126.57 39.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' VAL . 3.9 mt-10 -139.52 167.96 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.52 148.88 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 37' ' ' ILE . 57.4 t -137.04 145.7 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -95.81 132.55 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.55 -166.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.21 -60.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 179.79 -163.7 31.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.56 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -24.16 13.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -18.32 7.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 1.2 pp -89.42 155.64 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.507 HG22 ' HG3' ' A' ' 77' ' ' ARG . 47.2 p -103.07 163.5 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.886 HG11 ' O ' ' A' ' 71' ' ' MET . 98.8 t -47.85 -44.24 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 74' ' ' PRO . 12.5 p -49.5 -49.5 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.9 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 37' ' ' ILE . 1.2 tt -73.76 -57.34 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HD3' HG23 ' A' ' 45' ' ' ILE . 1.4 mtpm? -49.34 -49.57 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 m -49.66 -46.17 49.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.19 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.847 ' CG1' HG21 ' A' ' 21' ' ' VAL . 2.6 mt -51.9 -34.49 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.35 -30.77 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 15.6 t0 -91.96 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 52.6 mt-30 -47.48 -57.2 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 37' ' ' ILE . 7.3 mt -77.65 -17.23 57.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.0 mm-40 65.07 55.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 44' ' ' PRO . 21.6 mt -130.04 142.43 45.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 134.81 18.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.555 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.1 mt -50.79 -55.9 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -44.32 -25.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.58 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ILE . 19.8 m-20 -96.85 -46.13 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.814 ' OE1' HG22 ' A' ' 37' ' ' ILE . 21.5 mt-30 -55.09 133.22 48.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.729 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 16.2 m -135.42 100.47 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 33' ' ' LEU . 15.4 mt -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.745 ' CB ' HD22 ' A' ' 56' ' ' LEU . 8.0 t -162.58 140.63 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.799 HG21 HD13 ' A' ' 81' ' ' LEU . 4.6 p -90.13 32.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.75 113.61 9.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.26 -19.89 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 78.9 m-20 -61.8 -18.59 60.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.745 HD22 ' CB ' ' A' ' 51' ' ' SER . 26.1 tp -60.28 -37.93 82.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 13' ' ' ARG . 26.5 mt -63.03 -17.34 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.29 -47.75 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -43.04 118.43 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.63 -28.24 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -96.3 174.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.08 -48.3 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.886 ' HA ' HD12 ' A' ' 66' ' ' LEU . 79.6 p -55.7 -38.25 69.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.551 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.0 t0 -57.91 -46.79 84.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.659 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 21.4 m-85 -63.14 -20.91 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 63' ' ' SER . 45.3 mt -76.82 -13.01 60.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.66 69.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 79.8 m-85 -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.2 p -126.78 50.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.51 -30.29 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.886 ' O ' HG11 ' A' ' 30' ' ' VAL . 73.5 mtp -128.8 26.0 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.58 13.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.4 t70 -54.96 120.64 30.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' SER . 18.3 Cg_endo -75.0 -21.22 16.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.97 -3.77 59.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.65 141.17 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -99.82 144.52 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.625 HG21 HD12 ' A' ' 33' ' ' LEU . 17.7 pt -54.18 -31.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -25.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -56.65 -29.59 62.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.799 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -111.12 -14.21 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.42 73.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -97.01 112.41 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.2 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.96 102.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.64 -24.7 4.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.9 t -48.69 172.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 6.7 tpt -116.09 145.67 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 45.3 t -150.2 148.19 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 83.2 m-85 -117.61 159.5 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 41' ' ' LEU . 65.7 tp -126.49 161.92 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -161.12 119.26 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.3 p90 -136.38 158.05 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.46 146.52 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.55 -119.93 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -175.15 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -81.38 168.12 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 p -89.26 -167.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.37 140.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.17 155.03 32.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.6 153.89 8.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.84 141.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.58 99.18 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 173.23 14.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 t -176.28 94.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.8 t -109.52 128.52 55.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.12 102.44 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 p 56.83 166.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 159.44 53.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -71.7 125.97 28.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -127.85 155.84 43.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 -120.37 21.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -135.04 131.46 37.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.38 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 10' ' ' LEU . 19.2 tmm? -109.42 140.55 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 9' ' ' MET . 10.9 mt -125.29 145.85 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HD3' HD21 ' A' ' 18' ' ' LEU . 3.8 mtt180 -104.42 102.52 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.01 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.7 m -95.59 155.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -119.41 124.29 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLY . 19.5 p -114.47 153.92 29.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.28 -22.09 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -34.07 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 168.75 -124.4 1.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -131.07 128.57 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 35.1 mt-10 -125.53 152.45 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.93 153.47 41.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG13 ' CD ' ' A' ' 40' ' ' GLN . 85.9 t -150.64 147.91 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -93.88 132.71 38.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.89 -165.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.59 -62.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.01 -157.88 26.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -74.96 -24.81 12.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.68 -18.46 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.23 162.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.604 HG22 ' HG3' ' A' ' 77' ' ' ARG . 61.9 p -116.0 165.81 12.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.908 HG12 ' HD2' ' A' ' 34' ' ' LYS . 77.4 t -45.96 -38.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -54.24 -53.78 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.1 -37.66 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 37' ' ' ILE . 7.0 tp -58.72 -54.98 41.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.908 ' HD2' HG12 ' A' ' 30' ' ' VAL . 26.1 mttt -53.31 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 34' ' ' LYS . 6.8 m -33.41 -47.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.3 mt -56.27 -59.55 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -63.45 -44.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -52.04 -27.71 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.43 -63.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.637 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.3 mt-30 -52.15 -51.83 55.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.743 HD12 HG23 ' A' ' 37' ' ' ILE . 12.3 mt -76.14 -24.61 54.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 68.81 45.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.5 mt -124.51 142.32 40.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 125.82 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.759 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.567 HD13 ' CB ' ' A' ' 34' ' ' LYS . 9.5 mt -51.05 -44.02 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -47.91 -23.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.171 . . . . 0.0 109.592 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ILE . 40.0 m-20 -102.25 -41.5 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.2 mt-30 -53.48 141.37 25.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.85 112.9 11.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.3 mm? -90.0 128.91 36.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -162.19 140.02 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 p -89.6 36.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -136.76 146.85 46.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 3.2 ptm180 -79.87 -22.41 42.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.66 -25.06 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.769 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -49.08 -48.52 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.56 -30.3 65.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -46.2 63.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.72 116.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -110.97 -24.44 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -103.27 176.92 1.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.989 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.0 -41.95 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.735 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -57.49 -52.9 63.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 18.6 m-85 -61.7 -22.36 65.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 63' ' ' SER . 37.1 mt -74.35 -13.54 60.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.4 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -90.29 104.85 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.7 p -131.11 57.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.2 -29.06 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.818 ' SD ' HD11 ' A' ' 81' ' ' LEU . 39.7 mmm -119.37 26.09 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.26 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -62.13 119.69 51.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.74 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -94.76 0.44 54.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -82.31 134.04 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.604 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.4 mpt_? -87.96 153.46 21.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.7 pt -69.15 -21.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.3 p -60.82 -17.87 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -65.21 -28.88 69.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.818 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -111.28 3.74 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 50.16 65.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.731 HD11 HD12 ' A' ' 81' ' ' LEU . 84.1 mt -93.11 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.88 175.53 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CE1' ' H ' ' A' ' 9' ' ' MET . 3.4 t-160 -67.54 102.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.543 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . . . 124.83 -16.68 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 11.1 t -48.65 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 110.028 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -121.0 144.27 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG1' HG12 ' A' ' 12' ' ' VAL . 12.2 p -153.59 159.77 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 95.1 m-85 -123.24 135.87 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 48' ' ' GLN . 14.8 tp -117.2 116.21 26.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.769 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.25 120.07 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -140.28 162.26 35.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 1.4 tt0 -102.85 137.93 40.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 74.86 163.17 10.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -177.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.84 158.4 20.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -76.91 -166.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.16 138.73 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.74 137.08 39.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 145.18 -178.37 23.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m 60.22 113.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.63 -154.21 8.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.138 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.95 6.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 p -152.82 99.41 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 m -100.01 132.06 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.53 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 62.06 133.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 -150.4 47.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -54.56 169.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 0.77 . . . . 0.0 109.971 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -134.46 100.74 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.039 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.91 -126.07 2.85 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.5 m -76.38 120.73 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.7 ttp -115.91 125.33 52.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.34 145.7 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -102.89 101.06 11.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.6 m -90.39 155.35 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.833 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -122.36 123.18 40.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.6 p -122.23 167.0 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -56.9 -44.47 82.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.07 -33.16 74.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.27 -175.4 33.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.7 tp -76.17 130.91 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 12' ' ' VAL . 10.7 mt-10 -121.62 151.83 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -104.16 156.67 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.618 HG13 ' NE2' ' A' ' 40' ' ' GLN . 94.1 t -157.39 148.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -104.08 130.83 51.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.85 -165.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 28' ' ' ILE . 50.8 m-20 -112.55 -42.17 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 159.61 -163.6 33.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.66 12.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.5 -18.59 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.2 pp -87.38 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.2 p -109.45 171.54 7.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.563 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.5 t -51.12 -38.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.5 p -55.19 -46.41 75.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -73.39 -35.0 65.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 78' ' ' ILE . 5.4 tp -62.61 -52.83 61.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.772 ' HE3' HD23 ' A' ' 50' ' ' LEU . 1.1 mttt -51.05 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 39' ' ' ASP . 85.6 m -36.46 -51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 27.7 mt -50.46 -70.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 48' ' ' GLN . 12.7 mt -53.19 -36.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.01 -22.36 65.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' THR . 16.3 t0 -93.38 -50.36 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.618 ' NE2' HG13 ' A' ' 21' ' ' VAL . 46.6 mt-30 -67.38 -59.62 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.743 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.3 mt -72.44 -12.24 61.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 58.6 mm-40 58.15 45.44 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 44' ' ' PRO . 19.3 mt -116.23 141.83 28.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 133.0 16.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.577 HG23 ' HG2' ' A' ' 34' ' ' LYS . 5.8 mt -49.1 -53.55 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -46.94 -24.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 22.9 m-20 -98.24 -46.87 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.8 mt-30 -52.19 139.88 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.5 m -135.18 110.02 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.772 HD23 ' HE3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -90.25 131.29 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -162.37 128.76 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB3' ' A' ' 81' ' ' LEU . 52.9 p -89.57 45.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -150.61 123.15 8.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.97 -23.27 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD23 ' A' ' 58' ' ' LEU . 3.1 m-80 -52.89 -27.61 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -51.44 -43.74 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 13' ' ' ARG . 13.2 mt -68.03 -23.68 65.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.63 -33.17 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -58.11 124.78 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.34 -28.99 7.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.65 162.06 23.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.26 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -74.4 -27.37 60.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t70 -70.55 -45.09 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.4 m-85 -54.21 -18.51 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 63' ' ' SER . 18.0 mt -80.83 -14.11 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 69.3 m-85 -91.76 94.99 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -119.64 31.38 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.14 -18.01 59.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 81.3 mtp -142.86 44.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.88 -23.83 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.52 124.55 85.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.44 15.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -88.76 0.49 56.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.563 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -86.86 145.49 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 53.5 mtt180 -104.43 149.17 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 25.8 pt -67.96 -9.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.1 p -66.6 -19.71 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -71.6 -23.11 61.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.24 -9.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.59 63.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 78' ' ' ILE . 88.4 mt -97.87 116.33 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.7 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 5.3 t-160 -60.99 103.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.53 -25.78 5.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -55.88 167.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -108.94 144.82 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' ARG . 46.2 t -148.64 156.96 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.8 m-85 -125.44 137.95 54.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 41' ' ' LEU . 22.1 tp -119.65 124.37 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -119.25 119.65 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -140.0 158.19 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 3.5 pt-20 -99.01 142.67 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.62 159.55 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 178.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -79.59 159.24 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.8 p -70.44 -165.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 mt -91.96 140.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -68.52 140.85 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.6 151.94 8.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.4 m -140.59 155.81 46.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.76 104.07 2.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 t 72.9 106.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -98.5 109.76 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -123.38 90.45 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -174.0 113.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.55 77.33 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -69.71 150.71 46.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.34 101.57 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 m -109.34 128.24 54.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttp -110.22 133.18 53.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -111.68 163.67 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -107.99 108.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 91' ' ' LEU . 42.3 t -102.73 112.86 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.929 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.47 124.47 34.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 p -131.0 164.98 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -41.77 -58.1 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -41.06 -46.9 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.16 -113.64 0.53 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 tp -132.13 106.67 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -100.9 156.6 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.41 155.5 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CD ' ' A' ' 40' ' ' GLN . 51.8 t -147.8 153.94 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -99.66 133.72 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.71 -165.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.8 m-20 -104.65 -62.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 172.59 -155.19 22.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.98 -24.75 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.79 -17.86 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -95.0 155.96 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -109.23 170.22 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.774 HG12 ' HD2' ' A' ' 34' ' ' LYS . 65.6 t -50.29 -38.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -48.79 72.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -69.1 -35.33 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 37' ' ' ILE . 4.5 tp -61.53 -53.35 57.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.774 ' HD2' HG12 ' A' ' 30' ' ' VAL . 37.2 mttt -55.34 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.1 m -33.45 -43.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 12.6 mt -59.27 -68.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.78 HG23 ' CD1' ' A' ' 41' ' ' LEU . 1.5 mp -56.28 -40.98 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.37 -37.51 48.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.0 t0 -86.21 -63.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.558 ' CD ' HG13 ' A' ' 21' ' ' VAL . 28.1 mt-30 -45.86 -55.32 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.78 ' CD1' HG23 ' A' ' 37' ' ' ILE . 11.4 mt -77.15 -18.94 57.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 74.7 mm-40 65.84 45.8 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.695 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.4 mt -123.04 142.85 39.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 127.28 10.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.7 mt -50.31 -56.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.65 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 15.8 m-20 -93.19 -43.57 8.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.5 mt-30 -51.26 142.81 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.914 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 15.6 m -134.65 110.16 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.0 mm? -90.39 130.71 36.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 3.8 t -162.71 138.98 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.845 ' CG2' HD13 ' A' ' 81' ' ' LEU . 13.1 p -89.4 35.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.09 146.7 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -24.26 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -53.44 -21.11 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 68' ' ' PHE . 9.5 tp -53.36 -43.17 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.929 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -67.84 -21.66 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -78.14 -39.74 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -50.51 119.7 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -110.7 -27.27 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.1 p -91.48 157.16 42.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.71 21.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.887 ' HA ' HD12 ' A' ' 66' ' ' LEU . 18.6 m -88.0 -34.4 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.521 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.9 t0 -59.94 -47.53 85.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 13.1 m-85 -57.11 -26.6 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 63' ' ' SER . 27.2 mt -70.5 -9.27 56.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.1 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.502 ' CD2' HD12 ' A' ' 56' ' ' LEU . 63.0 m-85 -99.61 96.68 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -122.54 54.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.04 -30.5 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.71 ' O ' HG11 ' A' ' 30' ' ' VAL . 46.6 mmm -115.09 22.68 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.55 -44.45 19.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -59.82 119.8 44.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.82 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.31 -3.88 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.572 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -79.9 140.15 36.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.21 156.41 16.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 5.7 pt -65.33 -22.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -57.43 -21.87 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.6 t -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.845 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -106.94 -14.75 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.3 74.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.5 mm? -97.5 119.58 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 168.56 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.51 114.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.586 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -14.36 30.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 p -55.1 174.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 11.6 tpt -124.1 147.18 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 88' ' ' MET . 84.7 t -153.8 152.71 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 85.7 m-85 -116.56 157.43 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 12' ' ' VAL . 53.2 tp -136.03 128.59 30.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.914 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -126.93 123.97 38.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.0 p90 -137.13 158.62 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.32 150.58 25.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.56 -120.82 6.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -172.01 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -86.54 173.18 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 2.2 p -101.39 -168.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -92.19 148.1 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 137.6 58.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.02 -156.43 32.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.2 t -174.74 163.04 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.88 106.05 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.95 37.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 m 63.38 166.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.971 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.1 t -89.65 95.51 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -130.88 104.03 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -124.96 143.37 50.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.27 159.01 14.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -93.03 136.46 33.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.35 -58.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -86.31 -119.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -111.14 101.43 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -105.12 132.38 51.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -104.98 143.64 32.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.816 ' CG ' HD21 ' A' ' 18' ' ' LEU . 3.4 ttt85 -92.47 101.49 13.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG21 HG12 ' A' ' 37' ' ' ILE . 78.9 t -94.53 106.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.524 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.08 130.65 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.56 148.42 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -75.85 -24.51 55.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.87 -178.95 33.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD21 ' CG ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -92.97 138.64 31.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' N ' HD13 ' A' ' 18' ' ' LEU . 28.8 mt-10 -143.21 167.27 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -129.17 147.74 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 37' ' ' ILE . 72.1 t -137.43 151.42 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -102.0 132.44 47.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.95 -165.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.551 ' HB2' HG21 ' A' ' 28' ' ' ILE . 4.0 m-20 -109.25 -48.4 3.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.466 ' O ' HD11 ' A' ' 78' ' ' ILE . . . 168.76 -163.21 36.99 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.17 13.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.57 -18.37 11.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -87.39 147.84 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.3 p -104.35 166.28 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 34' ' ' LYS . 80.9 t -45.94 -38.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 p -55.09 -48.84 73.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.35 -33.27 72.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.641 HD12 HG21 ' A' ' 78' ' ' ILE . 2.0 tt -64.5 -59.05 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HE3' HD23 ' A' ' 50' ' ' LEU . 31.1 mttt -47.08 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 m -37.18 -56.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -43.47 -67.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.866 HG13 HG21 ' A' ' 21' ' ' VAL . 1.4 mp -57.53 -52.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -42.02 -33.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -90.56 -65.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HG13 ' A' ' 21' ' ' VAL . 30.1 mt-30 -44.63 -54.72 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.703 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.9 mt -78.11 -22.25 49.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 69.86 55.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 44' ' ' PRO . 47.4 mt -132.73 142.94 46.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 127.45 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 34' ' ' LYS . 5.0 mt -50.0 -56.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.54 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ILE . 37.3 m-20 -92.99 -43.25 9.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.647 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.3 mt-30 -52.71 138.17 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.694 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 99.0 m -135.06 107.94 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.846 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.3 mm? -85.67 141.8 29.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 56' ' ' LEU . 6.0 t -162.69 136.9 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.664 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.7 p -89.25 21.72 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -128.16 136.15 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -15.85 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 58' ' ' LEU . 86.6 m-20 -60.86 -16.95 47.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 51' ' ' SER . 31.8 tp -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.524 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -64.61 -13.59 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ASN . 35.5 mt -86.08 -34.99 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.15 123.7 16.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -111.36 -29.39 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -98.97 172.45 4.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.99 -47.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.889 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -53.65 -34.4 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.559 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.3 t0 -63.68 -48.75 75.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 14.1 m-85 -62.52 -20.13 64.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 ' HA ' ' A' ' 63' ' ' SER . 73.8 mt -73.64 -10.61 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -28.39 54.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -100.62 120.34 39.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.9 p -149.53 41.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -38.91 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.688 ' HG2' HD11 ' A' ' 81' ' ' LEU . 22.0 mtp -121.44 48.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.81 -32.56 16.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.84 122.32 86.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -17.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.76 -0.42 57.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.632 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.39 141.06 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -92.51 156.67 17.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.641 HG21 HD12 ' A' ' 33' ' ' LEU . 7.4 pt -75.46 -9.89 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 p -68.19 -23.22 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.7 t -60.93 -28.73 69.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -107.25 -23.44 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.58 54.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -79.43 100.63 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.85 172.55 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 7' ' ' GLY . 3.0 t-160 -60.03 110.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.35 -15.85 24.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.427 ' OG ' HD12 ' A' ' 83' ' ' LEU . 42.7 t -49.3 168.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.2 tpt -107.93 143.78 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' MET . 5.7 t -152.1 142.83 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' CD1' HD13 ' A' ' 57' ' ' LEU . 65.3 m-85 -115.5 131.96 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.87 140.78 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -138.54 121.03 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.4 p90 -140.15 161.33 37.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.7 pt-20 -101.95 145.2 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.89 173.98 16.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.46 -176.57 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -81.22 179.19 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 p -102.23 -170.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.43 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mt -89.8 132.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.1 164.53 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.24 158.5 23.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.6 t -160.49 93.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.6 157.36 29.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 117.39 4.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -174.31 114.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.4 m -100.72 88.01 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 0.0 111.042 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -122.94 -60.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.68 114.91 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.74 91.4 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -101.13 139.39 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -122.95 -63.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.12 -118.11 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -100.87 117.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.18 126.68 53.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -106.67 131.79 53.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.9 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.1 ttt180 -87.81 99.17 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.968 HG22 ' CG1' ' A' ' 89' ' ' VAL . 38.4 t -98.9 145.13 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.703 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.16 127.85 54.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 158.64 29.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -54.76 -25.83 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -79.21 -24.51 43.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.38 173.39 14.91 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 11' ' ' ARG . 9.0 tp -73.82 124.17 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -123.36 171.41 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 44.2 mmt-85 -112.65 158.65 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG11 HG13 ' A' ' 37' ' ' ILE . 40.2 t -154.02 146.15 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -101.83 132.0 47.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 24' ' ' ASP . 3.0 m -120.52 -164.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 3.5 m-20 -117.69 -43.87 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.83 -166.63 37.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.22 13.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.28 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -86.5 159.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -118.05 165.25 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 71' ' ' MET . 82.6 t -44.63 -37.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.4 p -54.71 -51.81 64.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.91 -30.45 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 78' ' ' ILE . 1.8 tp -68.58 -68.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 30' ' ' VAL . 38.4 mttt -41.13 -46.03 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -54.75 -45.04 74.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.8 mt -57.29 -66.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.972 HG21 HD22 ' A' ' 91' ' ' LEU . 2.2 mp -54.39 -35.09 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.15 -32.59 71.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.92 -55.07 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.54 ' OE1' HG13 ' A' ' 21' ' ' VAL . 69.2 mt-30 -55.04 -56.37 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.835 ' HG ' HG23 ' A' ' 37' ' ' ILE . 6.1 mt -79.64 -9.27 59.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 57.81 53.37 7.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 44' ' ' PRO . 34.1 mt -128.13 142.74 45.49 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 129.31 12.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 47' ' ' ASN . 8.2 mt -49.72 -52.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -45.77 -24.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.9 m-20 -98.4 -43.51 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.807 ' OE1' HG22 ' A' ' 37' ' ' ILE . 18.3 mt-30 -54.41 137.97 41.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 91' ' ' LEU . 33.2 m -134.95 99.53 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 HD13 ' A' ' 91' ' ' LEU . 5.0 mt -86.26 140.67 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.466 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.3 t -162.17 153.63 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -98.58 34.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -145.2 143.12 30.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.43 HH11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.28 -31.52 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -50.53 -28.33 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -59.63 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.6 mt -79.98 -3.35 47.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.43 HD11 HH11 ' A' ' 54' ' ' ARG . 21.0 mt -95.72 -33.77 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -59.86 117.4 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -110.93 -27.68 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 164.59 28.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.749 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.92 -26.73 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.677 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -70.31 -48.61 55.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -53.24 -20.26 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 63' ' ' SER . 26.4 mt -74.43 -13.37 60.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.01 -19.51 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.3 m-85 -115.62 98.92 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -123.92 54.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -26.61 13.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.815 ' O ' HG11 ' A' ' 30' ' ' VAL . 10.3 mmm -126.82 19.07 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.17 -27.41 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -72.23 119.51 75.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -18.1 19.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.17 5.48 51.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -88.17 137.9 31.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -97.78 144.15 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.465 HG21 HD22 ' A' ' 33' ' ' LEU . 16.9 pt -58.74 -18.37 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -65.93 -34.9 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -50.23 -27.44 5.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -106.37 -21.11 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 20.7 t30 77.88 63.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 81' ' ' LEU . 65.3 mt -101.09 114.94 29.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -120.54 167.66 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -46.07 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 135.34 -28.61 3.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.553 ' HB2' HD22 ' A' ' 83' ' ' LEU . 15.6 p -46.55 160.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -109.31 146.26 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.968 ' CG1' HG22 ' A' ' 12' ' ' VAL . 8.0 p -152.57 152.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.699 ' HD1' HD11 ' A' ' 57' ' ' LEU . 86.4 m-85 -120.42 141.66 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HG21 ' A' ' 37' ' ' ILE . 14.2 tp -125.91 121.09 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 56' ' ' LEU . . . -121.47 120.09 33.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -132.52 156.05 47.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.89 133.75 35.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.32 -176.24 50.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.87 -177.43 6.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.357 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 41' ' ' LEU . 2.4 mtt85 -80.33 -163.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.8 p -122.68 -174.7 2.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 mt -81.2 140.62 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 164.56 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -122.89 92.11 0.46 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -61.52 164.15 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.41 80.03 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.0 p -97.11 119.74 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.1 p -72.21 134.89 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -169.57 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.01 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -73.25 141.34 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.48 -162.3 9.57 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.52 116.7 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -75.21 81.69 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.58 178.64 24.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.127 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.723 ' O ' HG22 ' A' ' 23' ' ' VAL . 12.0 m -102.03 106.25 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' A' ' 10' ' ' LEU . 4.6 ttp -88.23 141.62 28.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' MET . 13.8 mt -124.66 149.64 46.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HD3' HD21 ' A' ' 18' ' ' LEU . 7.7 mtt180 -108.46 101.32 10.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.988 HG12 ' CG1' ' A' ' 89' ' ' VAL . 9.0 m -94.01 154.79 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -116.19 124.52 50.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.7 p -118.6 171.88 7.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -67.43 -26.22 66.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -82.96 -21.4 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.72 -170.92 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.797 HD21 ' HD3' ' A' ' 11' ' ' ARG . 4.1 tp -83.57 126.82 33.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.0 mt-10 -121.18 149.24 43.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -118.54 155.17 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.602 HG13 ' CD ' ' A' ' 40' ' ' GLN . 44.8 t -153.59 145.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -92.41 134.67 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 8' ' ' THR . 10.3 m -124.41 -165.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -103.98 -58.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.63 -154.81 25.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.74 -18.09 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -94.75 160.41 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.488 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.3 p -111.0 169.37 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.664 HG12 ' HD2' ' A' ' 34' ' ' LYS . 24.9 t -51.21 -36.06 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -56.13 -51.97 66.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.51 -37.27 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.651 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.3 tt -58.22 -56.75 18.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HD2' HG12 ' A' ' 30' ' ' VAL . 27.1 mttt -52.89 -68.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.68 -50.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.7 mt -51.12 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.706 HG23 HD12 ' A' ' 41' ' ' LEU . 1.3 mt -64.81 -50.46 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.03 -32.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.4 -67.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.602 ' CD ' HG13 ' A' ' 21' ' ' VAL . 30.5 mt-30 -46.62 -52.68 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 37' ' ' ILE . 13.0 mt -77.2 -20.64 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 65.72 48.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 44' ' ' PRO . 55.8 mt -127.01 142.64 44.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 125.74 9.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 34' ' ' LYS . 8.3 mt -49.68 -56.63 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.58 -30.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' ILE . 1.7 m120 -93.88 -43.58 8.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.654 ' HG2' HG22 ' A' ' 43' ' ' ILE . 10.7 mt-30 -50.78 144.4 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 31.5 m -135.08 104.34 5.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.536 HD23 ' CE ' ' A' ' 34' ' ' LYS . 1.7 mm? -87.48 125.07 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -158.34 141.31 14.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.2 p -89.95 34.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -135.64 145.88 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -80.52 -16.66 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.2 -25.56 67.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.615 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -49.99 -46.04 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 13' ' ' ARG . 36.0 mt -56.25 -27.7 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.37 -47.22 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -43.13 110.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -22.61 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.03 163.84 23.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -24.67 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.841 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -81.0 -31.99 34.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.423 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t0 -61.85 -46.81 87.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.13 -23.79 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 63' ' ' SER . 22.3 mt -73.98 -15.18 61.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.54 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 85.1 m-85 -96.07 101.12 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -121.63 34.44 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -38.15 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.679 ' CG ' HD11 ' A' ' 81' ' ' LEU . 47.2 mtp -132.2 45.56 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.52 -36.18 22.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.18 119.64 73.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.39 20.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -94.94 3.66 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -87.75 140.02 29.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.9 mpt_? -92.02 147.33 23.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.651 ' CG2' HD12 ' A' ' 33' ' ' LEU . 6.5 pt -60.56 -17.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.6 p -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -52.31 -29.45 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.88 HD12 HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -110.16 -19.36 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 t30 63.83 55.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -75.8 97.78 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -88.63 174.31 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -64.2 96.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.13 -20.51 4.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 63.7 m -45.83 164.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 1.8 tpt -114.71 145.08 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.988 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -153.39 159.21 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.5 m-85 -125.08 131.52 53.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLN . 34.2 tp -112.24 111.67 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.615 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -116.23 120.11 37.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -132.31 175.22 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.58 138.21 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.36 -173.51 53.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.71 -177.29 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -84.51 161.45 20.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 p -80.29 -168.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 mt -100.83 122.04 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 152.64 6.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.54 167.42 18.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 t -132.73 121.09 22.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.23 126.75 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.06 122.88 17.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 t -76.84 133.25 39.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -89.25 -51.04 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 p -134.15 -53.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.04 157.98 8.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -70.4 143.47 51.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -125.93 163.71 22.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . 129.03 -78.47 0.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 m -118.79 114.38 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.477 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.1 ttp -112.35 131.48 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 9' ' ' MET . 0.3 OUTLIER -113.22 128.14 56.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.708 ' HG2' HD11 ' A' ' 18' ' ' LEU . 2.6 ttt180 -80.62 118.39 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 69.8 t -114.19 108.56 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.669 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -83.98 125.86 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -116.26 161.93 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -65.73 -17.14 64.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.9 -13.59 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.09 -154.87 25.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.708 HD11 ' HG2' ' A' ' 11' ' ' ARG . 2.4 tp -110.07 129.64 55.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.37 158.49 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 143.0 51.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.797 HG21 HG13 ' A' ' 37' ' ' ILE . 48.9 t -131.46 147.49 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -98.52 132.64 43.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -117.18 -165.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 28' ' ' ILE . 52.8 m-20 -108.1 -42.35 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 161.2 -164.06 34.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.7 -18.36 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.569 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.3 pp -86.82 163.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -118.75 169.91 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 34' ' ' LYS . 56.0 t -49.09 -38.43 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -53.66 -50.32 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.14 -38.5 75.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 37' ' ' ILE . 7.5 tp -57.9 -56.29 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 30' ' ' VAL . 53.2 mttt -53.41 -68.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LYS . 16.2 m -34.63 -50.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.65 -60.17 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HG21 ' A' ' 21' ' ' VAL . 2.9 mp -64.36 -49.5 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -46.14 -31.72 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 t0 -90.77 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.525 ' CD ' HG13 ' A' ' 21' ' ' VAL . 27.0 mt-30 -46.95 -55.67 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 9.6 mt -77.81 -17.78 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 64.98 55.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 93' ' ' TYR . 17.9 mt -131.56 141.97 43.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.95 129.17 12.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -47.22 -59.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.9 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -92.37 -45.79 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.708 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.5 mt-30 -50.58 140.48 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 47.9 m -133.73 113.53 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.5 mm? -94.42 130.68 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -162.53 147.81 12.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -103.03 36.5 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 10.4 t-20 -134.85 141.75 46.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -21.26 61.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.57 -17.0 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.66 -44.05 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.5 mt -63.72 -24.29 67.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.37 -47.76 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.21 119.29 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -111.16 -28.76 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -99.04 174.54 3.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.88 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -54.76 -39.38 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.531 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -59.73 -45.77 91.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 11.4 m-85 -63.63 -25.52 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -68.33 -16.33 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.78 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -93.74 111.39 23.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.6 p -140.67 47.76 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.54 -42.46 20.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.875 ' HG2' HD11 ' A' ' 81' ' ' LEU . 29.5 mtp -119.67 56.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.74 -24.1 16.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.3 121.24 83.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.51 19.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -96.01 9.96 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.567 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -92.63 143.25 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 151.58 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.471 HG21 HD22 ' A' ' 33' ' ' LEU . 9.3 pt -68.59 -24.64 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -21.93 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.22 -3.35 53.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 61.88 65.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -101.05 128.8 46.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -123.95 175.96 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CD2' ' H ' ' A' ' 9' ' ' MET . 9.8 t-160 -67.13 71.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 147.51 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -112.19 167.34 10.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.449 ' C ' HG23 ' A' ' 89' ' ' VAL . 3.3 tpt -105.93 143.71 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 88' ' ' MET . 75.4 t -154.2 152.05 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 86.1 m-85 -120.13 128.3 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 15.8 tp -113.09 119.44 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.636 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -119.59 122.57 41.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.666 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.4 p90 -137.55 168.05 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.4 pt-20 -116.11 150.51 37.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 96' ' ' GLU . . . 70.07 25.43 75.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 44.1 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.259 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.92 -166.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -122.08 -168.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 mp -80.77 145.02 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 153.04 47.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -111.69 -145.47 9.97 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.0 p -134.05 164.96 26.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.28 176.16 21.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.27 42.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -178.81 128.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.7 p -96.23 142.38 28.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -148.28 -58.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -173.91 164.29 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 -104.02 0.18 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.37 157.43 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -124.59 134.13 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.89 -96.76 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 23' ' ' VAL . 92.3 m -131.03 128.05 39.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ttp -98.52 136.84 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' OG ' ' A' ' 87' ' ' SER . 41.5 mt -119.12 158.64 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -111.9 105.25 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.5 m -93.31 155.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.872 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -124.69 122.77 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 170.55 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -72.02 -15.08 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.46 -24.02 19.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.53 168.43 16.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 tp -72.82 122.73 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 21.6 mt-10 -118.89 153.2 34.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -118.52 145.89 44.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 ' CG1' ' A' ' 37' ' ' ILE . 59.6 t -137.23 145.91 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -98.09 131.3 44.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' THR . 7.5 m -129.08 -167.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' C ' ' NE2' ' A' ' 27' ' ' HIS . 1.6 m-20 -103.04 -45.0 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 158.68 -149.85 20.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -31.96 5.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -45.54 -24.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -91.53 152.83 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.808 HG22 ' HG3' ' A' ' 77' ' ' ARG . 58.1 p -110.4 168.96 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.94 HG12 ' HD2' ' A' ' 34' ' ' LYS . 72.1 t -48.61 -38.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -55.73 -53.01 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.02 -31.12 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD22 HG21 ' A' ' 78' ' ' ILE . 6.6 tp -67.8 -58.08 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.94 ' HD2' HG12 ' A' ' 30' ' ' VAL . 31.8 mttt -49.49 -47.4 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -52.2 -39.7 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.7 mt -64.42 -69.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.866 ' CG1' HG21 ' A' ' 21' ' ' VAL . 3.1 mt -54.9 -19.85 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.15 -33.98 63.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.74 -40.6 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 27.6 mt-30 -65.34 -60.61 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD22 ' OE2' ' A' ' 19' ' ' GLU . 15.4 mt -80.7 -2.28 46.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 52.71 51.73 15.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.809 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.1 mt -123.62 144.42 44.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.809 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 133.95 17.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 34' ' ' LYS . 7.3 mt -55.77 -58.39 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -39.36 -29.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ILE . 18.5 m-20 -91.11 -45.78 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' A' ' 43' ' ' ILE . 22.0 mt-30 -47.62 137.14 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 24.3 m -135.52 106.09 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.2 mm? -85.12 136.92 33.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 56' ' ' LEU . 3.7 t -159.45 128.24 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.497 HG21 ' HG ' ' A' ' 81' ' ' LEU . 22.6 p -88.48 38.07 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.39 126.61 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -58.33 -20.52 44.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 17.2 m-20 -55.78 -22.96 27.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -52.54 -47.57 66.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 13' ' ' ARG . 20.8 mt -64.3 -20.53 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.48 -31.84 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -66.31 120.78 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -112.33 -28.6 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -84.65 157.5 60.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.11 19.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -84.88 -31.62 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.644 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.0 t0 -66.03 -44.95 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.0 m-85 -53.6 -22.68 9.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' THR . 9.3 mt -80.24 -18.37 49.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' ASP . . . -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 71.1 m-85 -98.42 94.92 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 66' ' ' LEU . 76.8 p -120.32 44.95 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.73 -31.35 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' HD22 ' A' ' 76' ' ' LEU . 92.4 mtp -128.38 37.16 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.3 -30.47 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.83 123.86 88.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.1 18.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.83 1.21 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.633 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.16 145.73 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.808 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.8 mpt_? -104.79 151.17 24.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.54 HG21 HD22 ' A' ' 33' ' ' LEU . 5.3 pt -67.34 -9.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -67.08 -25.14 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -63.61 -27.74 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.721 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -95.79 -22.31 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 74.36 33.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.509 HD23 ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -58.54 101.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.49 171.69 9.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -58.52 100.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.07 24.27 7.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.461 ' OG ' HD22 ' A' ' 10' ' ' LEU . 65.3 p -72.72 -175.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.445 ' C ' HG23 ' A' ' 89' ' ' VAL . 4.7 tpt -123.02 142.03 51.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' ARG . 83.1 t -154.35 160.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.7 m-85 -126.42 132.81 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' ILE . 24.7 tp -111.79 117.23 32.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -117.69 125.42 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.6 p90 -143.75 171.8 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.64 136.42 52.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.61 176.5 49.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.31 -175.84 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -85.66 165.02 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.1 p -81.09 -167.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.13 146.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -119.39 150.82 39.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.79 172.45 13.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.6 t 64.19 135.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.28 -146.52 16.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.62 13.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.3 p -110.47 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.94 142.22 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.66 152.65 18.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -83.45 107.28 15.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.31 110.38 0.98 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -101.65 120.57 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -93.8 134.63 35.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.35 91.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.8 m -82.3 110.67 17.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -79.81 148.91 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -134.07 166.31 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -108.78 111.86 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.66 100.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -80.02 123.2 27.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 p -121.34 155.43 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -55.27 -22.71 19.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -39.29 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.58 168.67 29.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.78 103.62 5.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -105.19 160.44 15.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -121.88 152.75 39.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.876 HG13 ' CD ' ' A' ' 40' ' ' GLN . 47.8 t -150.51 146.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -91.78 145.35 24.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 8' ' ' THR . 14.3 m -132.91 -165.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.4 m-20 -103.2 -62.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 171.61 -158.01 28.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.84 -17.62 9.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.589 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -93.31 166.62 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -120.6 165.76 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.1 t -45.13 -36.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -55.41 -56.83 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.02 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 7.8 tp -64.76 -51.15 63.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 50' ' ' LEU . 27.8 mttt -55.18 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.75 -46.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.0 mt -55.15 -70.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.729 HG22 ' OE1' ' A' ' 48' ' ' GLN . 2.1 mp -55.84 -41.25 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.63 -33.52 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -58.76 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.876 ' CD ' HG13 ' A' ' 21' ' ' VAL . 29.2 mt-30 -50.3 -55.49 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.703 ' CG ' HG23 ' A' ' 37' ' ' ILE . 11.0 mt -79.27 -16.0 57.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 64.81 53.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 93' ' ' TYR . 29.0 mt -128.98 141.97 43.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 130.6 13.43 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.3 mt -48.29 -58.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.17 -30.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 2.0 m120 -92.2 -45.01 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.729 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.8 mt-30 -54.17 137.7 40.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.488 ' H ' HD12 ' A' ' 91' ' ' LEU . 23.1 m -134.59 114.97 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.4 mm? -91.95 135.38 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.479 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.6 t -163.02 153.42 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' HD13 ' A' ' 81' ' ' LEU . 1.2 p -102.93 33.62 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.2 146.82 39.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -79.52 -18.42 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HA ' ' CD1' ' A' ' 58' ' ' LEU . 60.3 m-20 -66.39 -15.86 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -64.23 -43.98 93.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 13' ' ' ARG . 33.3 mt -55.44 -20.68 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 12.5 mt -74.99 -46.32 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -49.19 110.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -24.95 10.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 p -92.65 155.0 42.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -95.44 -23.54 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.54 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 t0 -81.69 -42.9 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.504 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 14.6 m-85 -54.88 -18.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.49 -14.46 59.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.47 60.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.2 m-85 -103.52 101.1 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 p -123.75 60.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 -28.6 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 81' ' ' LEU . 33.1 mmm -129.69 33.57 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.12 -45.03 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -56.78 120.14 35.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.14 18.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -89.49 -6.99 55.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.581 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -76.36 141.02 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -98.9 152.22 20.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -64.35 -14.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -63.43 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.4 t -61.52 -34.2 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -104.64 -12.04 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.6 m120 62.22 69.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 89' ' ' VAL . 63.7 mt -101.24 122.6 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.49 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -50.59 110.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.48 -26.52 9.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 m -48.28 169.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.1 tpt -121.34 144.5 48.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 83' ' ' LEU . 97.2 t -154.2 156.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.492 ' HD1' HD11 ' A' ' 57' ' ' LEU . 87.5 m-85 -118.6 159.93 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 37' ' ' ILE . 22.2 tp -145.25 121.13 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 56' ' ' LEU . . . -122.67 119.93 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.661 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.8 p90 -134.55 177.0 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -123.06 158.38 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 96' ' ' GLU . . . 64.04 30.24 77.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 95' ' ' GLY . 3.2 pt-20 39.98 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -82.32 165.55 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -83.31 -167.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.7 152.0 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.3 155.69 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.63 141.0 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -178.59 125.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -110.88 154.83 16.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.21 37.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.9 p -156.54 114.52 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.8 p -60.56 137.97 58.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -75.11 147.58 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -106.32 93.23 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.71 69.84 1.08 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -78.37 154.14 31.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 t -124.04 -57.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.35 -127.2 41.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -129.49 112.64 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 9' ' ' MET . 12.2 tmm? -96.11 139.08 32.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -122.98 157.92 31.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.64 110.17 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -105.53 97.95 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 p -123.34 154.25 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.61 -36.26 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.28 -33.7 74.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.6 -172.77 37.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 19' ' ' GLU . 2.2 tm? -90.85 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.713 ' N ' HD13 ' A' ' 18' ' ' LEU . 13.2 mt-10 -138.23 157.15 46.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -116.24 141.94 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HG13 ' A' ' 37' ' ' ILE . 99.6 t -134.62 147.49 29.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -98.39 132.25 44.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 m -125.38 -167.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.0 m-20 -104.89 -64.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 177.05 -155.32 17.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.581 1.176 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.69 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.796 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.43 -17.92 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.38 161.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.1 p -116.58 171.46 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.793 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.5 t -50.07 -37.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -54.46 -54.42 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -66.01 -30.59 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.8 tt -65.61 -54.93 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.793 ' HD2' HG12 ' A' ' 30' ' ' VAL . 35.6 mttt -55.71 -65.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.5 m -36.06 -44.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.56 -70.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.828 HG13 HG21 ' A' ' 21' ' ' VAL . 1.5 mp -54.01 -37.79 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.87 -32.2 67.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.98 -54.64 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.562 ' CD ' HG13 ' A' ' 21' ' ' VAL . 22.1 mt-30 -55.3 -55.26 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -79.31 -14.46 58.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.01 55.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.5 mt -132.18 142.73 46.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -48.99 -57.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.27 -29.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 23.8 m-20 -94.24 -42.74 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.637 ' OE1' HG22 ' A' ' 37' ' ' ILE . 10.4 mt-30 -51.48 142.26 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 18.0 m -134.82 105.33 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.1 mm? -89.12 130.85 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.405 ' HB3' HD22 ' A' ' 56' ' ' LEU . 6.3 t -161.43 139.64 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.749 ' CG2' HD13 ' A' ' 81' ' ' LEU . 17.9 p -88.9 35.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 134.37 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -74.81 -13.53 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -71.39 -9.28 57.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 49' ' ' THR . 12.4 tp -62.87 -46.69 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.512 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 9.9 mp -55.43 -21.06 14.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.75 -36.87 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.657 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -53.85 120.85 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.6 -32.12 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -97.68 175.05 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -74.08 -32.02 63.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -74.78 -20.75 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 12.5 m-85 -90.24 -34.33 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.68 -28.55 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' N ' HD12 ' A' ' 66' ' ' LEU . . . -57.34 -20.82 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.85 97.18 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 22.6 p -121.91 68.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -98.99 -40.57 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.619 ' CG ' HD11 ' A' ' 81' ' ' LEU . 56.9 mtp -122.72 42.25 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.68 -41.03 24.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.15 119.09 49.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.33 19.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -94.45 7.93 43.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -89.89 140.99 29.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.542 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.1 mpp_? -92.29 151.48 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.65 ' CG2' HD12 ' A' ' 33' ' ' LEU . 4.9 pt -64.32 -17.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -63.54 -24.97 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -53.4 -36.36 61.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.765 HD12 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -106.75 -11.59 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.79 69.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.765 HD21 HD12 ' A' ' 81' ' ' LEU . 2.4 mm? -91.07 104.07 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.31 172.95 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.613 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -22.32 22.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -44.98 168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.1 tpt -111.98 145.06 40.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 61.7 t -151.69 150.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 94.6 m-85 -123.32 138.83 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 37' ' ' ILE . 14.0 tp -122.69 151.24 41.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.533 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -150.35 131.87 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -143.35 160.08 41.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.7 OUTLIER -98.98 136.31 39.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 90.31 -127.19 8.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.15 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -80.47 167.13 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 p -94.33 -169.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.09 138.69 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.81 144.16 55.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.52 -171.66 44.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 t -146.63 -61.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.84 173.33 18.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.9 t -89.21 159.23 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.3 p -106.56 139.36 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 1.6 ttp -127.82 138.07 52.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 17.6 mt -123.12 156.22 35.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' SD ' ' A' ' 88' ' ' MET . 15.7 mtt180 -107.19 106.81 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -96.99 147.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.817 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.97 123.92 46.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.66 173.78 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.32 -27.14 63.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -78.25 -29.25 48.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.35 169.25 19.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.36 125.05 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 24.3 mt-10 -122.05 167.92 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -131.39 148.44 52.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.798 HG21 ' CG1' ' A' ' 37' ' ' ILE . 98.4 t -136.01 149.16 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD13 ' A' ' 36' ' ' LEU . 5.9 t -96.14 133.49 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.7 m -127.14 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.712 ' OD2' HG21 ' A' ' 28' ' ' ILE . 2.4 m-20 -109.13 -50.77 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.61 -161.47 34.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.95 -24.57 12.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.63 -17.79 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.626 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 ' OD2' ' A' ' 24' ' ' ASP . 1.2 pp -87.82 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -108.48 166.88 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.825 ' CG2' HD23 ' A' ' 76' ' ' LEU . 70.7 t -48.45 -37.74 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -56.26 -44.47 79.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.93 -32.99 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.5 tp -63.67 -69.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.818 ' HE3' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -41.68 -46.54 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -53.91 -44.69 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 22' ' ' SER . 18.1 mt -59.14 -52.6 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.798 ' CG1' HG21 ' A' ' 21' ' ' VAL . 1.4 mp -67.46 -22.48 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.06 -27.9 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -95.14 -14.45 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.572 ' NE2' HG13 ' A' ' 21' ' ' VAL . 67.6 mt-30 -103.2 -60.79 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.604 HD12 HD22 ' A' ' 91' ' ' LEU . 20.9 mt -77.62 -6.29 53.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 55.1 mm-40 57.22 31.95 20.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.762 HG23 ' HD2' ' A' ' 44' ' ' PRO . 89.3 mt -102.94 143.43 26.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 144.43 30.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.43 -30.27 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 10.6 p-80 -70.37 -6.57 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 38.4 m-20 -117.98 -41.2 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.624 ' HG3' HG22 ' A' ' 43' ' ' ILE . 36.2 mt-30 -46.37 135.35 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 28.3 m -135.18 101.92 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.818 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.0 mm? -85.61 142.27 29.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 56' ' ' LEU . 7.9 t -163.39 134.94 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.853 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.9 p -90.71 31.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.54 137.84 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -71.45 -10.32 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' HD12 ' A' ' 58' ' ' LEU . 17.4 m-20 -66.05 -12.93 58.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 51' ' ' SER . 17.8 tp -67.81 -31.84 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.817 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -72.33 -5.93 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.512 HD12 ' OD1' ' A' ' 55' ' ' ASN . 35.4 mt -91.5 -42.21 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -52.81 121.52 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -110.65 -28.88 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.86 175.02 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.1 Cg_endo -75.02 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -56.64 -39.38 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.762 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t0 -55.45 -48.56 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 10.8 m-85 -61.52 -28.73 69.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 63' ' ' SER . 56.6 mt -66.77 -11.07 53.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.45 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 61.5 m-85 -96.23 100.08 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -124.27 53.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.89 -35.09 8.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 81' ' ' LEU . 69.6 mtp -124.1 45.51 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.07 -36.75 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 34.4 t70 -65.56 124.21 86.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.2 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.8 -7.13 47.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.825 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -75.68 143.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -101.39 147.64 26.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 19.6 pt -60.84 -24.08 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -20.63 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 t -59.31 -34.5 72.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.853 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -105.31 -17.51 14.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.47 75.05 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.3 mm? -99.75 118.06 35.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -110.79 170.69 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -60.7 84.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 150.5 -34.91 0.96 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLY . 15.5 m -41.59 163.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 11' ' ' ARG . 7.7 tpp -117.4 151.31 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' ARG . 55.2 t -149.45 163.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.0 m-85 -125.19 124.85 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.604 HD22 HD12 ' A' ' 41' ' ' LEU . 14.3 tp -98.52 155.22 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -157.51 120.26 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.462 ' CD1' HD13 ' A' ' 43' ' ' ILE . 37.3 p90 -133.1 156.38 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.72 147.82 23.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.99 -119.57 8.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.98 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -163.71 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -117.5 149.79 40.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.6 mt -130.76 149.98 52.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.697 ' HD3' HD21 ' A' ' 18' ' ' LEU . 4.7 mtt180 -107.85 101.68 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.6 m -90.94 155.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.99 124.1 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 p -120.85 162.58 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -49.84 -41.3 44.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -61.47 -44.44 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.11 -129.56 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 12' ' ' VAL . 2.0 tp -123.81 131.48 53.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 12' ' ' VAL . 27.6 mt-10 -123.39 159.81 28.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 148.99 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.801 HG21 HG13 ' A' ' 37' ' ' ILE . 36.2 t -142.96 155.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -99.05 134.41 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.3 m -124.61 -166.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.901 ' OD1' HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -103.66 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . -176.1 -162.55 27.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HA ' HD11 ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.01 -24.65 12.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.04 -18.16 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.901 HG21 ' OD1' ' A' ' 24' ' ' ASP . 1.2 pp -89.08 151.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -104.03 170.84 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.653 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.7 t -52.06 -39.27 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -43.09 71.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -72.08 -33.09 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 37' ' ' ILE . 2.9 tt -65.78 -73.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HD2' HG13 ' A' ' 30' ' ' VAL . 1.6 mttt -39.94 -43.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -55.44 -48.3 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 23' ' ' VAL . 11.4 mt -57.96 -59.23 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.801 HG13 HG21 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.86 -29.26 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -69.78 -23.74 63.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.72 -35.28 12.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.522 ' CD ' HG13 ' A' ' 21' ' ' VAL . 59.6 mt-30 -83.2 -59.66 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 55.5 58.97 4.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.634 HG22 ' HG2' ' A' ' 48' ' ' GLN . 37.6 mt -135.35 141.89 39.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.99 125.85 9.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -49.66 -56.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.68 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ILE . 31.8 m-20 -93.88 -41.44 9.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.634 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.6 mt-30 -55.03 138.21 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.929 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 98.0 m -135.57 98.82 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 ' HE1' ' A' ' 71' ' ' MET . 15.6 mt -85.47 142.0 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 56' ' ' LEU . 4.9 t -162.47 141.69 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 81' ' ' LEU . 2.0 p -89.7 35.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.86 126.0 15.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.68 -15.73 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -64.24 -14.58 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.851 HD21 ' O ' ' A' ' 49' ' ' THR . 23.2 tp -65.43 -32.73 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 13' ' ' ARG . 10.7 mt -70.66 -7.5 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.08 -42.49 12.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.713 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.23 118.77 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.58 -26.41 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -95.33 175.28 2.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.05 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.879 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -58.76 -34.54 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.713 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.7 t0 -59.76 -45.41 92.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -66.4 -19.37 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -76.64 -17.07 59.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.99 69.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HE1' ' HB2' ' A' ' 59' ' ' ALA . 70.9 m-85 -90.73 91.76 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.2 p -115.67 59.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -39.38 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.586 ' O ' HG11 ' A' ' 30' ' ' VAL . 83.3 mtp -127.48 33.87 4.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.1 -34.48 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.0 t70 -68.67 122.89 86.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -18.61 18.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -90.26 -1.94 57.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.653 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -83.13 136.26 34.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -94.55 152.45 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 26' ' ' PRO . 2.4 pt -65.39 -20.01 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -66.88 -13.79 62.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -65.9 -32.31 73.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -107.57 -16.42 14.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.2 t30 71.75 61.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 mm? -87.44 107.06 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.54 171.3 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.29 108.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.578 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.03 -10.26 13.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -57.48 173.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.553 ' HE1' HD13 ' A' ' 18' ' ' LEU . 5.7 tpt -113.1 145.34 41.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' A' ' 88' ' ' MET . 33.9 t -151.8 155.0 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.0 130.77 53.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.49 155.21 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.929 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -151.39 126.59 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.6 p90 -145.49 147.65 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.3 pt-20 -90.99 135.18 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.24 176.06 37.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.102 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.86 -172.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -88.26 165.13 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.2 ttp -127.45 133.29 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.16 156.06 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -103.86 121.27 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 37' ' ' ILE . 78.9 t -107.94 95.44 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -83.51 128.71 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.507 ' O ' HD21 ' A' ' 57' ' ' LEU . 86.7 p -109.37 176.73 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 9.4 mtp-105 -34.64 -59.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -140.51 37.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.15 109.5 0.5 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -100.19 97.37 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.97 167.03 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.14 153.44 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG21 ' CG1' ' A' ' 37' ' ' ILE . 43.8 t -137.52 145.29 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -98.62 133.32 43.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.038 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -122.56 -165.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 55.5 m-20 -105.27 -37.33 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 155.33 -157.16 27.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.51 11.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -55.1 -18.24 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -88.99 151.68 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -107.54 171.77 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 71' ' ' MET . 54.3 t -52.66 -38.49 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -55.4 -45.99 76.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -72.27 -30.43 64.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.65 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.65 -51.3 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -48.73 -45.8 40.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.7 mt -57.48 -70.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.886 ' CG1' HG21 ' A' ' 21' ' ' VAL . 4.6 mt -51.62 -33.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -61.65 -29.49 70.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 2.6 t70 -92.09 -57.83 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.663 ' NE2' HG13 ' A' ' 21' ' ' VAL . 38.4 mt-30 -53.53 -58.15 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.5 mt -76.86 -12.26 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.8 mm-40 59.42 54.73 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 44' ' ' PRO . 42.3 mt -128.42 142.07 43.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 132.99 16.07 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.5 mt -48.86 -58.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.26 -28.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 16.2 m-20 -93.93 -46.21 7.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.758 ' OE1' HG22 ' A' ' 37' ' ' ILE . 17.7 mt-30 -53.44 132.38 39.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.765 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.9 m -135.04 100.44 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 33' ' ' LEU . 15.7 mt -86.01 143.36 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.697 ' HB3' HD22 ' A' ' 56' ' ' LEU . 11.8 t -162.37 144.62 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.76 HG21 HD13 ' A' ' 81' ' ' LEU . 6.1 p -90.88 22.58 3.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -126.87 112.44 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.48 -19.52 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 14.6 m-80 -61.1 -16.72 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 51' ' ' SER . 25.2 tp -59.3 -46.43 88.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 14' ' ' SER . 11.1 mp -53.52 -23.05 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -72.89 -49.28 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.693 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -41.22 122.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -110.02 -29.68 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.94 172.98 4.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.769 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.9 p -61.85 -33.21 73.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.653 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -60.26 -45.21 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 14.7 m-85 -65.05 -22.95 67.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 63' ' ' SER . 77.9 mt -71.27 -17.03 62.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.32 63.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.82 99.81 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -126.34 65.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -28.1 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 81' ' ' LEU . 78.3 mtp -133.2 32.18 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.64 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 44.6 t0 -63.96 123.12 80.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.35 6.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 73' ' ' ASP . 15.9 p30 -84.72 7.23 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -92.81 139.78 30.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -94.26 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 33' ' ' LEU . 16.6 pt -69.93 -23.15 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.8 p -54.77 -26.09 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.8 t -55.63 -28.79 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -110.41 -13.06 14.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 66.21 70.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 81' ' ' LEU . 92.1 mt -104.85 108.63 20.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.23 171.26 8.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.1 t60 -43.03 123.26 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.71 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -48.29 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.3 tpt -123.72 146.04 48.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' MET . 10.2 t -152.08 144.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 77.5 m-85 -112.67 159.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.734 HD12 ' H ' ' A' ' 92' ' ' ALA . 13.0 tp -131.19 157.34 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.765 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.14 120.09 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 5.4 p90 -130.47 162.64 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -103.63 136.04 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 80.65 -120.52 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.07 -175.3 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -85.32 169.15 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.453 ' C ' HD22 ' A' ' 10' ' ' LEU . 1.1 ttp -107.07 131.9 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -109.94 123.57 49.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 102.46 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.017 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.6 m -94.73 155.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -121.12 124.91 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.21 153.07 36.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -53.67 -29.04 36.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.4 -24.13 46.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.22 -176.27 32.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.01 129.28 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.9 mt-10 -125.19 151.94 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -119.96 141.22 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.778 HG21 HG13 ' A' ' 37' ' ' ILE . 92.3 t -135.96 146.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -96.5 137.4 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.13 -166.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 83.1 m-20 -105.25 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.43 -159.11 29.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.87 12.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.17 -18.2 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -93.58 162.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 28' ' ' ILE . 36.3 p -113.95 178.46 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.687 HG12 ' HD2' ' A' ' 34' ' ' LYS . 42.4 t -58.69 -37.56 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.5 p -55.1 -45.93 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -72.81 -30.35 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.9 -58.77 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.769 ' CG ' HD23 ' A' ' 50' ' ' LEU . 67.8 mttt -52.81 -47.72 67.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -51.97 -40.63 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.73 -66.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.778 HG13 HG21 ' A' ' 21' ' ' VAL . 1.7 mp -55.25 -29.65 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.42 -30.54 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.5 -41.39 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.723 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.5 mt-30 -69.64 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.687 ' CG ' HG23 ' A' ' 37' ' ' ILE . 13.4 mt -76.56 -10.2 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 60.11 52.54 5.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.0 mt -126.61 141.31 39.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.96 130.25 13.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.18 -33.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -64.59 -11.03 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 39.6 m-20 -115.98 -42.96 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.765 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.3 mt-30 -49.79 139.39 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.839 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.53 108.41 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.769 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.0 mm? -94.06 140.78 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.512 ' CB ' HD13 ' A' ' 56' ' ' LEU . 14.4 t -161.62 162.72 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.761 HG21 HD13 ' A' ' 81' ' ' LEU . 49.7 p -113.32 33.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.01 140.91 40.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -72.39 -16.74 61.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 85.0 m-20 -65.19 -12.16 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 68' ' ' PHE . 15.8 tp -56.4 -49.82 73.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.9 mp -66.31 -11.5 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.98 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.94 -26.88 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -71.18 120.71 17.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -111.32 -29.37 7.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 166.08 23.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.85 3.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 66' ' ' LEU . 41.4 m -73.17 -28.51 62.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.633 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.26 -44.25 92.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.677 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 28.0 m-85 -64.99 -18.42 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.1 mt -75.63 -3.46 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.43 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 56' ' ' LEU . 39.6 m-85 -90.49 93.39 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.6 p -112.61 44.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -49.07 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -113.39 35.95 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.85 -31.01 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -77.47 121.43 84.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -20.12 17.2 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -92.88 8.41 39.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 141.04 29.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.27 151.34 19.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 33' ' ' LEU . 5.0 pt -71.51 -16.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 t -63.73 -19.74 65.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 t -64.85 -36.26 83.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.885 HD12 HD21 ' A' ' 83' ' ' LEU . 2.8 mt -91.87 -26.23 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 27.3 t30 80.08 43.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.06 138.67 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.29 168.84 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.36 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.17 -17.04 3.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m -52.31 171.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -121.52 144.53 48.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.017 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -150.91 161.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 97.9 m-85 -125.9 131.3 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 41' ' ' LEU . 8.5 tp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.839 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -144.81 124.14 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.5 p90 -140.43 165.49 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -101.56 137.03 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.85 178.66 8.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.05 -173.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -88.82 -166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 17.0 tmm? -111.64 148.39 33.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 10' ' ' LEU . 9.3 mt -129.23 147.62 51.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -106.23 101.09 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -90.46 155.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.88 124.11 42.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 p -119.01 151.27 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -41.78 -39.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.53 -50.02 73.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.13 -129.95 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -128.5 131.67 48.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.654 ' OE1' HD22 ' A' ' 41' ' ' LEU . 23.1 mt-10 -124.02 159.7 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 147.79 47.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.832 HG21 HG13 ' A' ' 37' ' ' ILE . 35.1 t -141.02 155.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -101.22 131.98 46.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.45 -164.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.98 -62.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.73 -155.01 20.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.41 -17.99 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.57 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -91.47 167.63 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -123.76 165.36 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 71' ' ' MET . 75.5 t -48.29 -31.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.5 p -60.3 -46.4 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -75.62 -37.5 59.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' A' ' 78' ' ' ILE . 8.0 tp -59.74 -55.76 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.647 ' HD2' HG12 ' A' ' 30' ' ' VAL . 23.6 mttt -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.3 mt -55.29 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.832 HG13 HG21 ' A' ' 21' ' ' VAL . 1.9 mp -52.73 -36.57 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.05 -31.95 67.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 6.7 t70 -89.24 -59.62 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CD ' HG13 ' A' ' 21' ' ' VAL . 23.1 mt-30 -52.06 -56.25 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.786 HD12 HG23 ' A' ' 37' ' ' ILE . 13.5 mt -77.97 -10.63 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 57.75 52.56 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -126.92 142.07 42.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.6 mt -47.24 -58.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -93.58 -43.43 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.763 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.5 mt-30 -56.1 133.87 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.3 m -134.76 99.1 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.485 ' HB3' ' HE2' ' A' ' 71' ' ' MET . 9.1 mt -86.03 136.85 33.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.591 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.7 t -161.77 150.75 15.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' HD13 ' A' ' 81' ' ' LEU . 2.9 p -94.12 33.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -129.45 134.77 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -10.45 59.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.9 -12.8 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 49' ' ' THR . 12.8 tp -57.91 -42.53 84.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 13' ' ' ARG . 9.1 mp -59.93 -30.21 68.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -65.68 -50.26 65.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.67 121.33 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.74 -28.76 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.45 170.27 7.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.63 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.559 1.82 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.947 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -62.45 -31.97 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.06 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.703 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -63.1 -48.06 80.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 29.2 m-85 -62.56 -24.27 67.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' A' ' 63' ' ' SER . 71.8 mt -67.93 -11.0 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.23 -29.14 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 m-85 -100.11 104.5 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 p -126.19 50.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -96.32 -32.8 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.709 ' O ' HG11 ' A' ' 30' ' ' VAL . 7.3 mmm -123.17 31.78 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.27 -35.7 30.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.58 119.12 60.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.21 18.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -92.06 0.85 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.79 144.06 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -100.29 150.36 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.456 HG21 HD22 ' A' ' 33' ' ' LEU . 17.7 pt -64.56 -19.6 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -31.41 69.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -49.92 -36.28 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -100.04 -18.96 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 76.04 48.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 81' ' ' LEU . 38.8 mt -78.92 118.95 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.85 168.78 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -51.35 107.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.66 -30.26 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -45.16 167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.528 ' CE ' ' CD1' ' A' ' 18' ' ' LEU . 5.5 tpt -112.83 145.7 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 88' ' ' MET . 56.4 t -148.9 157.26 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.2 m-85 -125.26 130.23 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 tp -105.24 157.95 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.747 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.24 120.1 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.442 ' CB ' HG21 ' A' ' 43' ' ' ILE . 14.6 p90 -140.67 149.75 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.2 tt0 -96.94 136.51 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 70.72 162.49 4.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -84.29 167.21 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.561 0.22 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -111.33 130.58 55.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.52 133.98 52.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.9 ttt180 -93.08 100.37 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.984 HG22 ' CG1' ' A' ' 89' ' ' VAL . 62.8 t -96.33 149.85 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.842 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.45 134.19 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -121.43 -174.72 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -93.58 27.02 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.19 27.9 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.77 174.85 19.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -89.66 129.5 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -113.05 147.69 36.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 146.57 34.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.872 HG21 HG13 ' A' ' 37' ' ' ILE . 60.3 t -139.72 157.68 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -106.26 130.32 54.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 24' ' ' ASP . 2.8 m -122.57 -164.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 23' ' ' VAL . 22.1 m-20 -115.28 -45.86 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 165.08 -161.12 34.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.94 -24.35 13.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.49 -18.49 7.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -88.11 151.4 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 77' ' ' ARG . 49.5 p -107.38 167.3 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.845 HG11 ' O ' ' A' ' 71' ' ' MET . 72.8 t -47.47 -39.0 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -42.83 80.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -75.32 -34.21 61.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.5 HD23 HD12 ' A' ' 37' ' ' ILE . 3.4 tt -62.6 -56.84 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HD2' HG12 ' A' ' 30' ' ' VAL . 33.1 mttt -53.47 -65.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.4 m -37.16 -48.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 23' ' ' VAL . 13.3 mt -52.77 -53.52 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.872 HG13 HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -67.3 -50.96 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -45.36 -27.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t70 -93.19 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' NE2' HG13 ' A' ' 21' ' ' VAL . 42.4 mt-30 -53.21 -56.07 19.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD12 HG23 ' A' ' 37' ' ' ILE . 13.7 mt -76.09 -17.07 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 59.0 mm-40 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -135.53 142.84 42.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 34' ' ' LYS . 6.3 mt -50.06 -43.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -49.07 -22.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ILE . 37.6 m-20 -104.26 -35.86 7.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG2' HG22 ' A' ' 43' ' ' ILE . 12.9 mt-30 -61.78 139.42 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.762 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.8 m -135.43 102.6 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.51 141.0 30.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.3 t -159.65 171.6 19.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -118.83 35.11 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.65 117.44 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.19 -20.4 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 49.4 m-80 -63.05 -13.84 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.746 HD21 ' O ' ' A' ' 49' ' ' THR . 40.8 tp -64.05 -29.81 70.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.842 HD11 ' HG2' ' A' ' 13' ' ' ARG . 29.4 mt -73.48 -12.78 60.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.3 -43.9 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.04 120.45 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -110.71 -29.92 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.0 171.4 7.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.56 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.847 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.0 t -61.23 -28.41 69.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.73 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -66.26 -46.77 75.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 18.4 m-85 -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 63' ' ' SER . 79.1 mt -71.46 -11.04 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.42 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 36.3 m-85 -102.85 101.7 11.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -128.37 61.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -40.3 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.845 ' O ' HG11 ' A' ' 30' ' ' VAL . 95.8 mtp -112.76 24.38 12.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.17 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -78.23 119.49 77.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.37 11.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -84.51 3.48 36.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.462 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -87.96 139.94 30.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HG3' HG22 ' A' ' 29' ' ' THR . 23.0 mtt180 -99.27 147.34 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 33' ' ' LEU . 29.6 pt -61.69 -15.0 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.2 p -67.98 -30.04 69.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -61.16 -31.44 71.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 71' ' ' MET . 0.6 OUTLIER -100.8 -8.0 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.85 71.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 87' ' ' SER . 33.3 mt -112.23 125.65 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.28 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -52.82 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.42 -14.28 4.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 83' ' ' LEU . 6.4 t -62.72 174.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -126.07 145.81 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.984 ' CG1' HG22 ' A' ' 12' ' ' VAL . 10.3 p -151.94 157.48 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.6 m-85 -124.7 134.14 52.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 48' ' ' GLN . 22.5 tp -106.56 158.8 16.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.762 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.7 119.97 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.4 p90 -142.84 150.43 39.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -95.62 135.74 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.8 176.94 46.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.17 -172.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -86.16 176.12 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.4 ttp -121.71 136.52 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' ' HG2' ' A' ' 9' ' ' MET . 21.5 mt -120.44 156.4 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -96.87 120.22 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 91' ' ' LEU . 28.8 t -117.52 105.51 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -79.47 123.67 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -127.46 169.9 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -49.32 -54.74 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.26 -41.56 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.96 -114.07 0.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -129.13 103.91 7.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -101.92 155.71 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 156.68 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.681 HG21 HG12 ' A' ' 37' ' ' ILE . 39.6 t -142.19 146.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -96.35 132.83 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -119.46 -168.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.28 -47.03 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.1 -170.23 42.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.06 -25.12 12.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -52.43 -20.64 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.4 pp -85.31 155.87 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 28' ' ' ILE . 45.0 p -101.28 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.516 ' CG2' HD23 ' A' ' 76' ' ' LEU . 37.9 t -53.04 -47.08 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 p -47.63 -49.02 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.24 -28.92 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -71.66 -54.51 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 50' ' ' LEU . 2.2 mtpm? -48.68 -61.07 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 m -41.45 -54.65 3.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.0 mt -45.43 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.825 HG22 ' OE1' ' A' ' 48' ' ' GLN . 6.4 mt -52.38 -44.78 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -54.31 -30.56 51.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t0 -87.73 -65.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.65 ' CD ' HG13 ' A' ' 21' ' ' VAL . 43.9 mt-30 -48.69 -55.34 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.4 mt -75.73 -17.89 59.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 77.5 mm-40 64.52 40.51 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 44' ' ' PRO . 59.7 mt -113.61 142.48 27.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 131.19 13.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.448 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -46.76 -60.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -39.79 -29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.4 m-20 -92.65 -47.06 7.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.825 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.1 mt-30 -51.3 136.38 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.4 m -135.09 104.93 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 34' ' ' LYS . 1.9 mm? -87.08 133.05 33.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -163.34 141.22 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.4 p -91.38 34.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -138.56 145.94 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 4.3 ptm180 -76.62 -25.9 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -51.02 -22.85 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -54.15 -39.56 66.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.786 HD11 ' HG2' ' A' ' 13' ' ' ARG . 14.7 mt -70.42 -22.43 62.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.45 -35.22 47.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.48 116.05 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -110.98 -25.9 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.11 162.06 33.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.07 12.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.0 -31.34 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 17.9 t0 -62.01 -46.95 86.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.87 -25.72 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 63' ' ' SER . 42.9 mt -69.45 -9.68 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.04 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 64.6 m-85 -93.52 95.8 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -118.9 46.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.41 -47.01 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.608 ' CG ' HD11 ' A' ' 81' ' ' LEU . 83.4 mtp -114.72 45.48 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.28 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -65.58 120.33 67.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.9 16.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -90.52 6.23 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.516 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -90.68 138.68 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -94.15 142.1 27.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.566 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 13.4 pt -57.33 -25.2 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t -57.02 -31.11 64.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -52.89 -43.19 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.608 HD11 ' CG ' ' A' ' 71' ' ' MET . 2.1 mt -89.91 -15.27 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.92 74.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.6 mt -107.82 119.17 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.3 165.36 17.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.8 t-160 -48.12 107.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.5 -35.97 2.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -44.85 169.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 13.9 tpt -120.78 147.43 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 88' ' ' MET . 98.0 t -153.74 154.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 54' ' ' ARG . 80.3 m-85 -115.59 157.68 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 37' ' ' ILE . 52.2 tp -139.94 120.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.611 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -122.12 120.33 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 4.4 p90 -131.98 169.4 16.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.6 tt0 -105.65 137.71 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.0 148.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.1 pt-20 -49.62 179.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -76.98 162.74 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' VAL . 23.9 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -111.34 132.14 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 130.73 55.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.1 ttt180 -81.78 127.6 33.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -122.37 106.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.769 HH11 HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.84 135.21 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 59.3 p -129.77 162.64 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -14.04 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -93.57 -13.06 28.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.77 157.02 7.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.769 HD12 HH11 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -72.18 132.63 44.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 69.4 mt-10 -134.32 170.61 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.5 143.19 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.793 HG11 HG13 ' A' ' 37' ' ' ILE . 48.6 t -131.25 145.27 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.7 t -85.16 155.41 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' THR . 2.9 m -144.73 -164.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 28' ' ' ILE . 94.4 m-20 -122.75 -45.19 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.79 -163.57 35.87 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.09 13.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.574 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.07 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.566 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.17 148.79 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 77' ' ' ARG . 73.3 p -105.66 172.68 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' HD23 ' A' ' 76' ' ' LEU . 20.6 t -52.6 -37.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -56.53 -44.65 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -74.76 -32.15 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.0 OUTLIER -66.05 -61.3 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.704 ' CG ' HD23 ' A' ' 50' ' ' LEU . 69.1 mttt -49.49 -51.15 38.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -49.25 -47.18 46.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 22' ' ' SER . 14.5 mt -53.53 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.796 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.8 mp -53.13 -36.21 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -63.62 -29.82 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.354 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -92.07 -53.84 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.728 ' OE1' HG13 ' A' ' 21' ' ' VAL . 55.5 mt-30 -56.79 -59.45 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.7 mt -76.8 -9.51 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.7 mm-40 58.14 54.71 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.638 HD11 ' HE ' ' A' ' 97' ' ' ARG . 51.9 mt -127.45 142.4 43.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.08 128.06 11.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.2 mt -48.23 -57.32 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -40.45 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.5 m-20 -94.2 -45.82 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.796 ' OE1' HG22 ' A' ' 37' ' ' ILE . 14.0 mt-30 -49.58 141.94 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 39.1 m -134.54 105.21 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CG ' ' A' ' 34' ' ' LYS . 1.8 mm? -89.58 129.1 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.614 ' HB3' HD22 ' A' ' 56' ' ' LEU . 5.1 t -162.8 136.24 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 p -89.14 34.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.522 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 17.8 t-20 -128.69 113.48 15.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -54.79 -18.5 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.9 m-20 -65.38 -11.35 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' SER . 13.6 tp -60.52 -47.7 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.4 -29.25 58.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 -48.98 63.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.82 119.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -22.7 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.465 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -106.36 176.1 1.81 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.97 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.958 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -49.31 -37.23 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.738 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 t0 -59.97 -54.23 48.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 23.2 m-85 -61.8 -22.59 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' ' 63' ' ' SER . 75.9 mt -70.81 -7.98 49.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.7 31.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.554 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 80.7 m-85 -99.9 119.27 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 p -149.16 49.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.12 -33.44 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.881 ' HG2' HD11 ' A' ' 81' ' ' LEU . 55.2 mtp -121.03 47.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.24 -34.34 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.07 120.11 77.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -18.57 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.83 -3.37 57.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -93.52 146.32 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG2' HD12 ' A' ' 33' ' ' LEU . 15.4 pt -57.6 -27.44 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 p -52.13 -31.51 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 t -55.0 -41.08 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.13 -25.21 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 44.9 t30 79.61 57.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.23 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -111.95 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -60.0 116.62 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.58 -20.44 27.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 41.5 m -52.38 161.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.968 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.453 ' C ' HG23 ' A' ' 89' ' ' VAL . 2.9 tpt -108.26 144.82 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 88' ' ' MET . 46.2 t -153.64 153.1 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.547 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 93.5 m-85 -122.5 140.63 52.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.34 153.82 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.35 124.49 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.9 p90 -142.01 173.08 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.4 pt-20 -113.87 146.24 40.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.22 171.01 7.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 179.07 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.638 ' HE ' HD11 ' A' ' 43' ' ' ILE . 39.7 mtt180 -81.07 173.56 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 14.3 tmm? -104.73 147.93 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.7 mt -128.54 149.29 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -106.74 100.02 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.941 ' O ' HD22 ' A' ' 18' ' ' LEU . 2.6 m -90.83 139.64 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.732 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -107.67 122.01 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.4 p -124.98 171.72 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 5.9 ptp180 -64.9 -36.57 84.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.96 -11.09 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.51 175.88 14.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -71.68 134.27 46.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.1 mt-10 -129.6 155.12 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.05 156.85 28.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.705 HG13 ' NE2' ' A' ' 40' ' ' GLN . 60.9 t -153.92 145.39 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -95.92 133.66 39.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.4 -166.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.26 -58.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 173.58 -157.28 25.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -75.0 -26.48 10.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.482 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -54.49 -18.73 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -89.37 164.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -120.52 169.99 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 71' ' ' MET . 75.1 t -50.32 -39.42 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 p -52.79 -46.05 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -71.96 -36.44 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.06 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HG23 ' A' ' 45' ' ' ILE . 64.8 mttt -45.53 -49.13 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -50.76 -47.31 59.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.34 -67.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.808 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.9 mt -53.34 -35.6 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.08 -28.77 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.5 t70 -91.76 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.705 ' NE2' HG13 ' A' ' 21' ' ' VAL . 29.4 mt-30 -51.34 -56.74 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.76 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.4 mt -77.38 -13.94 59.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 69.3 mm-40 60.81 52.01 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 44' ' ' PRO . 48.7 mt -125.4 142.09 40.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 134.54 17.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.8 mt -51.69 -51.37 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -48.55 -22.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 25.3 m-20 -100.01 -45.69 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.808 ' OE1' HG22 ' A' ' 37' ' ' ILE . 22.1 mt-30 -55.34 132.36 47.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.52 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.9 m -135.12 103.59 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.445 HD21 HD13 ' A' ' 91' ' ' LEU . 16.5 mt -89.79 142.63 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 t -162.25 143.41 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 81' ' ' LEU . 2.4 p -89.56 36.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -145.83 127.08 14.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.1 ptt85 -57.48 -23.37 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.3 m120 -50.19 -24.28 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.884 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -50.56 -48.35 57.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.732 HD11 ' HG2' ' A' ' 13' ' ' ARG . 5.7 mt -65.13 -23.5 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.74 -36.29 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -64.8 119.49 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.28 -27.18 8.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -94.39 174.63 3.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.99 -49.84 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -56.66 -51.83 67.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 17.5 m-85 -59.47 -21.61 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 63' ' ' SER . 38.1 mt -77.61 -7.59 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.24 -26.8 52.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.74 107.61 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.8 p -133.32 44.13 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -100.54 -37.81 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.66 ' O ' HG11 ' A' ' 30' ' ' VAL . 81.9 mtp -116.75 26.67 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 34' ' ' LYS . . . -86.08 -39.11 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 30.4 t70 -59.24 120.85 51.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -17.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -92.68 1.59 57.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.85 144.7 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.84 157.58 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 4.6 pt -73.15 -33.98 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -57.13 -18.45 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -57.81 -31.18 66.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.742 HD12 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -105.1 -22.57 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 1.6 t30 81.86 56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.742 HD21 HD12 ' A' ' 81' ' ' LEU . 1.7 mm? -86.07 108.72 18.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -100.82 172.96 6.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.8 97.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.74 -22.39 4.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 74.7 m -43.95 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.8 tpt -109.08 145.22 36.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' ARG . 92.9 t -153.66 157.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.3 137.3 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD22 HG21 ' A' ' 37' ' ' ILE . 19.2 tp -117.34 115.32 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.884 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.09 119.8 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 43' ' ' ILE . 16.9 p90 -138.29 159.52 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.6 pt-20 -91.99 145.8 24.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.04 165.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.65 -179.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -75.2 157.79 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.482 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.9 tmm? -120.85 143.9 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 9' ' ' MET . 24.1 mt -132.11 155.86 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -103.2 116.56 32.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.7 t -103.88 108.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.661 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.72 133.78 40.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 17' ' ' GLY . 56.9 p -107.03 176.73 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.45 -45.97 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.97 36.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 14' ' ' SER . . . -151.28 112.28 0.53 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -94.13 126.57 39.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' VAL . 3.9 mt-10 -139.52 167.96 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.52 148.88 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 37' ' ' ILE . 57.4 t -137.04 145.7 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -95.81 132.55 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.55 -166.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.21 -60.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 179.79 -163.7 31.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.56 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -24.16 13.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.64 -18.32 7.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -89.42 155.64 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.507 HG22 ' HG3' ' A' ' 77' ' ' ARG . 47.2 p -103.07 163.5 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.886 HG11 ' O ' ' A' ' 71' ' ' MET . 98.8 t -47.85 -44.24 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 74' ' ' PRO . 12.5 p -49.5 -49.5 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.9 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 37' ' ' ILE . 1.2 tt -73.76 -57.34 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HD3' HG23 ' A' ' 45' ' ' ILE . 1.4 mtpm? -49.34 -49.57 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 m -49.66 -46.17 49.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.19 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.847 ' CG1' HG21 ' A' ' 21' ' ' VAL . 2.6 mt -51.9 -34.49 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.35 -30.77 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 15.6 t0 -91.96 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 52.6 mt-30 -47.48 -57.2 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 37' ' ' ILE . 7.3 mt -77.65 -17.23 57.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.0 mm-40 65.07 55.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 44' ' ' PRO . 21.6 mt -130.04 142.43 45.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 134.81 18.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.555 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.1 mt -50.79 -55.9 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -44.32 -25.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.58 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ILE . 19.8 m-20 -96.85 -46.13 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.814 ' OE1' HG22 ' A' ' 37' ' ' ILE . 21.5 mt-30 -55.09 133.22 48.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.729 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 16.2 m -135.42 100.47 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 33' ' ' LEU . 15.4 mt -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.745 ' CB ' HD22 ' A' ' 56' ' ' LEU . 8.0 t -162.58 140.63 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.799 HG21 HD13 ' A' ' 81' ' ' LEU . 4.6 p -90.13 32.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.75 113.61 9.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.26 -19.89 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 78.9 m-20 -61.8 -18.59 60.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.745 HD22 ' CB ' ' A' ' 51' ' ' SER . 26.1 tp -60.28 -37.93 82.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 13' ' ' ARG . 26.5 mt -63.03 -17.34 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.29 -47.75 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -43.04 118.43 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.63 -28.24 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -96.3 174.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.08 -48.3 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.886 ' HA ' HD12 ' A' ' 66' ' ' LEU . 79.6 p -55.7 -38.25 69.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.551 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.0 t0 -57.91 -46.79 84.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.659 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 21.4 m-85 -63.14 -20.91 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 63' ' ' SER . 45.3 mt -76.82 -13.01 60.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.66 69.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 79.8 m-85 -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.2 p -126.78 50.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.51 -30.29 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.886 ' O ' HG11 ' A' ' 30' ' ' VAL . 73.5 mtp -128.8 26.0 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.58 13.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.4 t70 -54.96 120.64 30.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' SER . 18.3 Cg_endo -75.0 -21.22 16.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.97 -3.77 59.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.65 141.17 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -99.82 144.52 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.625 HG21 HD12 ' A' ' 33' ' ' LEU . 17.7 pt -54.18 -31.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -25.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -56.65 -29.59 62.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.799 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -111.12 -14.21 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.42 73.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -97.01 112.41 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.2 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.96 102.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.64 -24.7 4.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.9 t -48.69 172.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 6.7 tpt -116.09 145.67 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 45.3 t -150.2 148.19 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 83.2 m-85 -117.61 159.5 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 41' ' ' LEU . 65.7 tp -126.49 161.92 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -161.12 119.26 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.3 p90 -136.38 158.05 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.46 146.52 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.55 -119.93 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -175.15 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -81.38 168.12 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 10' ' ' LEU . 19.2 tmm? -109.42 140.55 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 9' ' ' MET . 10.9 mt -125.29 145.85 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HD3' HD21 ' A' ' 18' ' ' LEU . 3.8 mtt180 -104.42 102.52 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.01 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.7 m -95.59 155.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -119.41 124.29 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLY . 19.5 p -114.47 153.92 29.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.28 -22.09 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -34.07 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 168.75 -124.4 1.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -131.07 128.57 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 35.1 mt-10 -125.53 152.45 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.93 153.47 41.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG13 ' CD ' ' A' ' 40' ' ' GLN . 85.9 t -150.64 147.91 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -93.88 132.71 38.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.89 -165.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.59 -62.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.01 -157.88 26.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -74.96 -24.81 12.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.68 -18.46 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.23 162.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.604 HG22 ' HG3' ' A' ' 77' ' ' ARG . 61.9 p -116.0 165.81 12.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.908 HG12 ' HD2' ' A' ' 34' ' ' LYS . 77.4 t -45.96 -38.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -54.24 -53.78 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.1 -37.66 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 37' ' ' ILE . 7.0 tp -58.72 -54.98 41.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.908 ' HD2' HG12 ' A' ' 30' ' ' VAL . 26.1 mttt -53.31 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 34' ' ' LYS . 6.8 m -33.41 -47.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.3 mt -56.27 -59.55 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -63.45 -44.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -52.04 -27.71 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.43 -63.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.637 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.3 mt-30 -52.15 -51.83 55.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.743 HD12 HG23 ' A' ' 37' ' ' ILE . 12.3 mt -76.14 -24.61 54.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 68.81 45.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.5 mt -124.51 142.32 40.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 125.82 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.759 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.567 HD13 ' CB ' ' A' ' 34' ' ' LYS . 9.5 mt -51.05 -44.02 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -47.91 -23.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.171 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ILE . 40.0 m-20 -102.25 -41.5 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.2 mt-30 -53.48 141.37 25.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.85 112.9 11.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.3 mm? -90.0 128.91 36.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -162.19 140.02 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 p -89.6 36.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -136.76 146.85 46.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 3.2 ptm180 -79.87 -22.41 42.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.66 -25.06 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.769 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -49.08 -48.52 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.56 -30.3 65.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -46.2 63.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.72 116.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -110.97 -24.44 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -103.27 176.92 1.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.989 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.0 -41.95 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.735 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -57.49 -52.9 63.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 18.6 m-85 -61.7 -22.36 65.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 63' ' ' SER . 37.1 mt -74.35 -13.54 60.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.4 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -90.29 104.85 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.7 p -131.11 57.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.2 -29.06 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.818 ' SD ' HD11 ' A' ' 81' ' ' LEU . 39.7 mmm -119.37 26.09 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.26 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -62.13 119.69 51.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.74 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -94.76 0.44 54.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -82.31 134.04 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.604 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.4 mpt_? -87.96 153.46 21.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.7 pt -69.15 -21.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.3 p -60.82 -17.87 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -65.21 -28.88 69.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.818 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -111.28 3.74 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 50.16 65.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.731 HD11 HD12 ' A' ' 81' ' ' LEU . 84.1 mt -93.11 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.88 175.53 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CE1' ' H ' ' A' ' 9' ' ' MET . 3.4 t-160 -67.54 102.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.543 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . . . 124.83 -16.68 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 11.1 t -48.65 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 110.028 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -121.0 144.27 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG1' HG12 ' A' ' 12' ' ' VAL . 12.2 p -153.59 159.77 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 95.1 m-85 -123.24 135.87 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 48' ' ' GLN . 14.8 tp -117.2 116.21 26.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.769 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.25 120.07 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -140.28 162.26 35.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 1.4 tt0 -102.85 137.93 40.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 74.86 163.17 10.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -177.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.84 158.4 20.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.5 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.7 ttp -115.91 125.33 52.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.34 145.7 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -102.89 101.06 11.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.6 m -90.39 155.35 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.833 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -122.36 123.18 40.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.6 p -122.23 167.0 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -56.9 -44.47 82.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.07 -33.16 74.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.27 -175.4 33.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.7 tp -76.17 130.91 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 12' ' ' VAL . 10.7 mt-10 -121.62 151.83 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.507 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -104.16 156.67 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.618 HG13 ' NE2' ' A' ' 40' ' ' GLN . 94.1 t -157.39 148.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -104.08 130.83 51.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.85 -165.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 28' ' ' ILE . 50.8 m-20 -112.55 -42.17 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 159.61 -163.6 33.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.66 12.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.5 -18.59 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.2 pp -87.38 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.2 p -109.45 171.54 7.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.563 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.5 t -51.12 -38.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.5 p -55.19 -46.41 75.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -73.39 -35.0 65.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 78' ' ' ILE . 5.4 tp -62.61 -52.83 61.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.772 ' HE3' HD23 ' A' ' 50' ' ' LEU . 1.1 mttt -51.05 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 39' ' ' ASP . 85.6 m -36.46 -51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 27.7 mt -50.46 -70.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 48' ' ' GLN . 12.7 mt -53.19 -36.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.01 -22.36 65.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' THR . 16.3 t0 -93.38 -50.36 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.618 ' NE2' HG13 ' A' ' 21' ' ' VAL . 46.6 mt-30 -67.38 -59.62 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.743 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.3 mt -72.44 -12.24 61.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 58.6 mm-40 58.15 45.44 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 44' ' ' PRO . 19.3 mt -116.23 141.83 28.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 133.0 16.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.577 HG23 ' HG2' ' A' ' 34' ' ' LYS . 5.8 mt -49.1 -53.55 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -46.94 -24.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 22.9 m-20 -98.24 -46.87 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.8 mt-30 -52.19 139.88 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.5 m -135.18 110.02 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.772 HD23 ' HE3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -90.25 131.29 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -162.37 128.76 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB3' ' A' ' 81' ' ' LEU . 52.9 p -89.57 45.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -150.61 123.15 8.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.97 -23.27 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD23 ' A' ' 58' ' ' LEU . 3.1 m-80 -52.89 -27.61 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -51.44 -43.74 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 13' ' ' ARG . 13.2 mt -68.03 -23.68 65.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.63 -33.17 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -58.11 124.78 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.34 -28.99 7.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.65 162.06 23.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.26 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -74.4 -27.37 60.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t70 -70.55 -45.09 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.4 m-85 -54.21 -18.51 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 63' ' ' SER . 18.0 mt -80.83 -14.11 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.638 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 69.3 m-85 -91.76 94.99 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -119.64 31.38 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.14 -18.01 59.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 81.3 mtp -142.86 44.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.88 -23.83 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.52 124.55 85.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.44 15.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -88.76 0.49 56.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.563 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -86.86 145.49 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 53.5 mtt180 -104.43 149.17 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 25.8 pt -67.96 -9.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.1 p -66.6 -19.71 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -71.6 -23.11 61.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.24 -9.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.59 63.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 78' ' ' ILE . 88.4 mt -97.87 116.33 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.7 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 5.3 t-160 -60.99 103.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.53 -25.78 5.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -55.88 167.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -108.94 144.82 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' ARG . 46.2 t -148.64 156.96 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.8 m-85 -125.44 137.95 54.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 41' ' ' LEU . 22.1 tp -119.65 124.37 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -119.25 119.65 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -140.0 158.19 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 3.5 pt-20 -99.01 142.67 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.62 159.55 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 178.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -79.59 159.24 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttp -110.22 133.18 53.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -111.68 163.67 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -107.99 108.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 91' ' ' LEU . 42.3 t -102.73 112.86 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.929 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.47 124.47 34.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 p -131.0 164.98 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -41.77 -58.1 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -41.06 -46.9 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.16 -113.64 0.53 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 tp -132.13 106.67 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -100.9 156.6 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.41 155.5 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CD ' ' A' ' 40' ' ' GLN . 51.8 t -147.8 153.94 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -99.66 133.72 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.71 -165.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.8 m-20 -104.65 -62.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 172.59 -155.19 22.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.98 -24.75 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.79 -17.86 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -95.0 155.96 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -109.23 170.22 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.774 HG12 ' HD2' ' A' ' 34' ' ' LYS . 65.6 t -50.29 -38.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -48.79 72.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -69.1 -35.33 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 37' ' ' ILE . 4.5 tp -61.53 -53.35 57.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.774 ' HD2' HG12 ' A' ' 30' ' ' VAL . 37.2 mttt -55.34 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.1 m -33.45 -43.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 12.6 mt -59.27 -68.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.78 HG23 ' CD1' ' A' ' 41' ' ' LEU . 1.5 mp -56.28 -40.98 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.586 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.37 -37.51 48.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.0 t0 -86.21 -63.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.558 ' CD ' HG13 ' A' ' 21' ' ' VAL . 28.1 mt-30 -45.86 -55.32 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.78 ' CD1' HG23 ' A' ' 37' ' ' ILE . 11.4 mt -77.15 -18.94 57.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 74.7 mm-40 65.84 45.8 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.695 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.4 mt -123.04 142.85 39.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 127.28 10.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.7 mt -50.31 -56.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.65 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 15.8 m-20 -93.19 -43.57 8.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.5 mt-30 -51.26 142.81 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.914 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 15.6 m -134.65 110.16 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.0 mm? -90.39 130.71 36.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 3.8 t -162.71 138.98 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.845 ' CG2' HD13 ' A' ' 81' ' ' LEU . 13.1 p -89.4 35.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.09 146.7 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -24.26 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -53.44 -21.11 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 68' ' ' PHE . 9.5 tp -53.36 -43.17 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.929 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -67.84 -21.66 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -78.14 -39.74 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -50.51 119.7 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -110.7 -27.27 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.1 p -91.48 157.16 42.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.71 21.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.887 ' HA ' HD12 ' A' ' 66' ' ' LEU . 18.6 m -88.0 -34.4 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.521 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.9 t0 -59.94 -47.53 85.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 13.1 m-85 -57.11 -26.6 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 63' ' ' SER . 27.2 mt -70.5 -9.27 56.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.1 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.502 ' CD2' HD12 ' A' ' 56' ' ' LEU . 63.0 m-85 -99.61 96.68 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -122.54 54.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.04 -30.5 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.71 ' O ' HG11 ' A' ' 30' ' ' VAL . 46.6 mmm -115.09 22.68 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.55 -44.45 19.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -59.82 119.8 44.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.82 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.31 -3.88 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.572 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -79.9 140.15 36.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.21 156.41 16.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 5.7 pt -65.33 -22.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -57.43 -21.87 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.6 t -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.845 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -106.94 -14.75 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.3 74.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.5 mm? -97.5 119.58 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 168.56 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.51 114.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.586 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -14.36 30.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 p -55.1 174.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 11.6 tpt -124.1 147.18 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 88' ' ' MET . 84.7 t -153.8 152.71 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 85.7 m-85 -116.56 157.43 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 12' ' ' VAL . 53.2 tp -136.03 128.59 30.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.914 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -126.93 123.97 38.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.0 p90 -137.13 158.62 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.32 150.58 25.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.56 -120.82 6.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -172.01 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -86.54 173.18 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 2.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -105.12 132.38 51.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -104.98 143.64 32.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.816 ' CG ' HD21 ' A' ' 18' ' ' LEU . 3.4 ttt85 -92.47 101.49 13.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG21 HG12 ' A' ' 37' ' ' ILE . 78.9 t -94.53 106.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.08 130.65 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.56 148.42 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -75.85 -24.51 55.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.87 -178.95 33.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD21 ' CG ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -92.97 138.64 31.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.536 ' N ' HD13 ' A' ' 18' ' ' LEU . 28.8 mt-10 -143.21 167.27 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -129.17 147.74 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 37' ' ' ILE . 72.1 t -137.43 151.42 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -102.0 132.44 47.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.95 -165.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.551 ' HB2' HG21 ' A' ' 28' ' ' ILE . 4.0 m-20 -109.25 -48.4 3.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.466 ' O ' HD11 ' A' ' 78' ' ' ILE . . . 168.76 -163.21 36.99 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.17 13.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.57 -18.37 11.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -87.39 147.84 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.3 p -104.35 166.28 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 34' ' ' LYS . 80.9 t -45.94 -38.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 p -55.09 -48.84 73.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.35 -33.27 72.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.641 HD12 HG21 ' A' ' 78' ' ' ILE . 2.0 tt -64.5 -59.05 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HE3' HD23 ' A' ' 50' ' ' LEU . 31.1 mttt -47.08 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 m -37.18 -56.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -43.47 -67.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.866 HG13 HG21 ' A' ' 21' ' ' VAL . 1.4 mp -57.53 -52.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -42.02 -33.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -90.56 -65.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HG13 ' A' ' 21' ' ' VAL . 30.1 mt-30 -44.63 -54.72 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.703 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.9 mt -78.11 -22.25 49.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 69.86 55.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 44' ' ' PRO . 47.4 mt -132.73 142.94 46.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 127.45 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 34' ' ' LYS . 5.0 mt -50.0 -56.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.54 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ILE . 37.3 m-20 -92.99 -43.25 9.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.647 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.3 mt-30 -52.71 138.17 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.694 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 99.0 m -135.06 107.94 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.846 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.3 mm? -85.67 141.8 29.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 56' ' ' LEU . 6.0 t -162.69 136.9 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.664 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.7 p -89.25 21.72 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -128.16 136.15 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -15.85 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 58' ' ' LEU . 86.6 m-20 -60.86 -16.95 47.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 51' ' ' SER . 31.8 tp -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.524 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -64.61 -13.59 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ASN . 35.5 mt -86.08 -34.99 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.15 123.7 16.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -111.36 -29.39 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -98.97 172.45 4.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.99 -47.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.889 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -53.65 -34.4 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.559 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.3 t0 -63.68 -48.75 75.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 14.1 m-85 -62.52 -20.13 64.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 ' HA ' ' A' ' 63' ' ' SER . 73.8 mt -73.64 -10.61 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -28.39 54.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -100.62 120.34 39.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.9 p -149.53 41.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -38.91 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.688 ' HG2' HD11 ' A' ' 81' ' ' LEU . 22.0 mtp -121.44 48.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.81 -32.56 16.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.84 122.32 86.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -17.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.76 -0.42 57.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.632 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.39 141.06 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -92.51 156.67 17.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.641 HG21 HD12 ' A' ' 33' ' ' LEU . 7.4 pt -75.46 -9.89 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 p -68.19 -23.22 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.7 t -60.93 -28.73 69.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -107.25 -23.44 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.58 54.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -79.43 100.63 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.85 172.55 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -60.03 110.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.35 -15.85 24.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.427 ' OG ' HD12 ' A' ' 83' ' ' LEU . 42.7 t -49.3 168.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.2 tpt -107.93 143.78 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' MET . 5.7 t -152.1 142.83 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' CD1' HD13 ' A' ' 57' ' ' LEU . 65.3 m-85 -115.5 131.96 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.87 140.78 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -138.54 121.03 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.4 p90 -140.15 161.33 37.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.7 pt-20 -101.95 145.2 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.89 173.98 16.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.46 -176.57 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -81.22 179.19 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.43 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.18 126.68 53.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -106.67 131.79 53.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.9 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.1 ttt180 -87.81 99.17 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.968 HG22 ' CG1' ' A' ' 89' ' ' VAL . 38.4 t -98.9 145.13 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.703 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.16 127.85 54.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 158.64 29.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -54.76 -25.83 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -79.21 -24.51 43.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.38 173.39 14.91 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 11' ' ' ARG . 9.0 tp -73.82 124.17 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -123.36 171.41 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 44.2 mmt-85 -112.65 158.65 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG11 HG13 ' A' ' 37' ' ' ILE . 40.2 t -154.02 146.15 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -101.83 132.0 47.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 24' ' ' ASP . 3.0 m -120.52 -164.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 3.5 m-20 -117.69 -43.87 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.83 -166.63 37.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.22 13.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.28 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -86.5 159.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -118.05 165.25 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 71' ' ' MET . 82.6 t -44.63 -37.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.4 p -54.71 -51.81 64.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.91 -30.45 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 78' ' ' ILE . 1.8 tp -68.58 -68.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 30' ' ' VAL . 38.4 mttt -41.13 -46.03 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -54.75 -45.04 74.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.8 mt -57.29 -66.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.972 HG21 HD22 ' A' ' 91' ' ' LEU . 2.2 mp -54.39 -35.09 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.15 -32.59 71.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.92 -55.07 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.54 ' OE1' HG13 ' A' ' 21' ' ' VAL . 69.2 mt-30 -55.04 -56.37 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.835 ' HG ' HG23 ' A' ' 37' ' ' ILE . 6.1 mt -79.64 -9.27 59.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 57.81 53.37 7.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 44' ' ' PRO . 34.1 mt -128.13 142.74 45.49 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 129.31 12.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 47' ' ' ASN . 8.2 mt -49.72 -52.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -45.77 -24.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.9 m-20 -98.4 -43.51 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.807 ' OE1' HG22 ' A' ' 37' ' ' ILE . 18.3 mt-30 -54.41 137.97 41.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 91' ' ' LEU . 33.2 m -134.95 99.53 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 HD13 ' A' ' 91' ' ' LEU . 5.0 mt -86.26 140.67 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.466 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.3 t -162.17 153.63 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -98.58 34.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -145.2 143.12 30.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.43 HH11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.28 -31.52 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -50.53 -28.33 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -59.63 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.6 mt -79.98 -3.35 47.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.43 HD11 HH11 ' A' ' 54' ' ' ARG . 21.0 mt -95.72 -33.77 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -59.86 117.4 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -110.93 -27.68 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 164.59 28.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.749 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.92 -26.73 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.677 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -70.31 -48.61 55.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -53.24 -20.26 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 63' ' ' SER . 26.4 mt -74.43 -13.37 60.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.01 -19.51 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.3 m-85 -115.62 98.92 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -123.92 54.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -26.61 13.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.815 ' O ' HG11 ' A' ' 30' ' ' VAL . 10.3 mmm -126.82 19.07 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.17 -27.41 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -72.23 119.51 75.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -18.1 19.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.17 5.48 51.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -88.17 137.9 31.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -97.78 144.15 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG21 HD22 ' A' ' 33' ' ' LEU . 16.9 pt -58.74 -18.37 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -65.93 -34.9 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -50.23 -27.44 5.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -106.37 -21.11 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 20.7 t30 77.88 63.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 81' ' ' LEU . 65.3 mt -101.09 114.94 29.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -120.54 167.66 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -46.07 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 135.34 -28.61 3.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.553 ' HB2' HD22 ' A' ' 83' ' ' LEU . 15.6 p -46.55 160.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -109.31 146.26 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.968 ' CG1' HG22 ' A' ' 12' ' ' VAL . 8.0 p -152.57 152.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.699 ' HD1' HD11 ' A' ' 57' ' ' LEU . 86.4 m-85 -120.42 141.66 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HG21 ' A' ' 37' ' ' ILE . 14.2 tp -125.91 121.09 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 56' ' ' LEU . . . -121.47 120.09 33.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -132.52 156.05 47.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.89 133.75 35.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.32 -176.24 50.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.87 -177.43 6.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.357 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 41' ' ' LEU . 2.4 mtt85 -80.33 -163.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.723 ' O ' HG22 ' A' ' 23' ' ' VAL . 12.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' A' ' 10' ' ' LEU . 4.6 ttp -88.23 141.62 28.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' MET . 13.8 mt -124.66 149.64 46.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HD3' HD21 ' A' ' 18' ' ' LEU . 7.7 mtt180 -108.46 101.32 10.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.988 HG12 ' CG1' ' A' ' 89' ' ' VAL . 9.0 m -94.01 154.79 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -116.19 124.52 50.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.7 p -118.6 171.88 7.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -67.43 -26.22 66.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -82.96 -21.4 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.72 -170.92 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.797 HD21 ' HD3' ' A' ' 11' ' ' ARG . 4.1 tp -83.57 126.82 33.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.0 mt-10 -121.18 149.24 43.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -118.54 155.17 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.602 HG13 ' CD ' ' A' ' 40' ' ' GLN . 44.8 t -153.59 145.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -92.41 134.67 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 8' ' ' THR . 10.3 m -124.41 -165.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -103.98 -58.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.63 -154.81 25.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.74 -18.09 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -94.75 160.41 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.488 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.3 p -111.0 169.37 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.664 HG12 ' HD2' ' A' ' 34' ' ' LYS . 24.9 t -51.21 -36.06 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -56.13 -51.97 66.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.51 -37.27 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.651 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.3 tt -58.22 -56.75 18.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HD2' HG12 ' A' ' 30' ' ' VAL . 27.1 mttt -52.89 -68.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.68 -50.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.7 mt -51.12 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.706 HG23 HD12 ' A' ' 41' ' ' LEU . 1.3 mt -64.81 -50.46 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.03 -32.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.4 -67.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.602 ' CD ' HG13 ' A' ' 21' ' ' VAL . 36.8 mt-30 -46.62 -52.68 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 37' ' ' ILE . 13.0 mt -77.2 -20.64 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 65.72 48.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 44' ' ' PRO . 55.8 mt -127.01 142.64 44.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 125.74 9.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 34' ' ' LYS . 8.3 mt -49.68 -56.63 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.58 -30.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' ILE . 22.5 m-20 -93.88 -43.58 8.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.654 ' HG2' HG22 ' A' ' 43' ' ' ILE . 10.7 mt-30 -50.78 144.4 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 31.5 m -135.08 104.34 5.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.536 HD23 ' CE ' ' A' ' 34' ' ' LYS . 1.7 mm? -87.48 125.07 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -158.34 141.31 14.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.2 p -89.95 34.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -135.64 145.88 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -80.52 -16.66 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.2 -25.56 67.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.615 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -49.99 -46.04 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 13' ' ' ARG . 36.0 mt -56.25 -27.7 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.37 -47.22 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -43.13 110.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -22.61 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.03 163.84 23.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -24.67 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.841 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -81.0 -31.99 34.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.423 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t0 -61.85 -46.81 87.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.13 -23.79 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 63' ' ' SER . 22.3 mt -73.98 -15.18 61.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.54 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 85.1 m-85 -96.07 101.12 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -121.63 34.44 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -38.15 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.679 ' CG ' HD11 ' A' ' 81' ' ' LEU . 47.2 mtp -132.2 45.56 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.52 -36.18 22.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.18 119.64 73.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.39 20.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -94.94 3.66 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -87.75 140.02 29.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.9 mpt_? -92.02 147.33 23.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.651 ' CG2' HD12 ' A' ' 33' ' ' LEU . 6.5 pt -60.56 -17.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.6 p -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -52.31 -29.45 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.88 HD12 HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -110.16 -19.36 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 t30 63.83 55.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -75.8 97.78 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -88.63 174.31 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -64.2 96.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.13 -20.51 4.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 63.7 m -45.83 164.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 1.8 tpt -114.71 145.08 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.988 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -153.39 159.21 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.5 m-85 -125.08 131.52 53.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLN . 34.2 tp -112.24 111.67 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.615 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -116.23 120.11 37.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -132.31 175.22 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.9 pt-20 -115.58 138.21 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.36 -173.51 53.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.71 -177.29 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -84.51 161.45 20.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.396 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.477 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.1 ttp -112.35 131.48 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 9' ' ' MET . 0.3 OUTLIER -113.22 128.14 56.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.708 ' HG2' HD11 ' A' ' 18' ' ' LEU . 2.6 ttt180 -80.62 118.39 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 69.8 t -114.19 108.56 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.669 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -83.98 125.86 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -116.26 161.93 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -65.73 -17.14 64.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.9 -13.59 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.09 -154.87 25.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.708 HD11 ' HG2' ' A' ' 11' ' ' ARG . 2.4 tp -110.07 129.64 55.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.37 158.49 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 143.0 51.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.797 HG21 HG13 ' A' ' 37' ' ' ILE . 48.9 t -131.46 147.49 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -98.52 132.64 43.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -117.18 -165.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 28' ' ' ILE . 52.8 m-20 -108.1 -42.35 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 161.2 -164.06 34.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.7 -18.36 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.569 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.3 pp -86.82 163.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -118.75 169.91 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 34' ' ' LYS . 56.0 t -49.09 -38.43 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -53.66 -50.32 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.14 -38.5 75.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 37' ' ' ILE . 7.5 tp -57.9 -56.29 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 30' ' ' VAL . 53.2 mttt -53.41 -68.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LYS . 16.2 m -34.63 -50.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.65 -60.17 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HG21 ' A' ' 21' ' ' VAL . 2.9 mp -64.36 -49.5 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -46.14 -31.72 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 t0 -90.77 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.574 ' NE2' HG13 ' A' ' 21' ' ' VAL . 30.9 mt-30 -46.95 -55.67 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 9.6 mt -77.81 -17.78 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 64.98 55.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 93' ' ' TYR . 17.9 mt -131.56 141.97 43.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.95 129.17 12.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -47.22 -59.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.9 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -92.37 -45.79 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.708 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.5 mt-30 -50.58 140.48 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 47.9 m -133.73 113.53 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.5 mm? -94.42 130.68 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -162.53 147.81 12.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -103.03 36.5 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 10.4 t-20 -134.85 141.75 46.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -21.26 61.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.57 -17.0 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.66 -44.05 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.5 mt -63.72 -24.29 67.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.37 -47.76 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.21 119.29 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -111.16 -28.76 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -99.04 174.54 3.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.88 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -54.76 -39.38 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.531 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -59.73 -45.77 91.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 11.4 m-85 -63.63 -25.52 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -68.33 -16.33 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.78 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -93.74 111.39 23.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.6 p -140.67 47.76 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.54 -42.46 20.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.875 ' HG2' HD11 ' A' ' 81' ' ' LEU . 29.5 mtp -119.67 56.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.74 -24.1 16.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.3 121.24 83.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.51 19.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -96.01 9.96 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.567 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -92.63 143.25 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 151.58 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.471 HG21 HD22 ' A' ' 33' ' ' LEU . 9.3 pt -68.59 -24.64 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -21.93 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.22 -3.35 53.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 61.88 65.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -101.05 128.8 46.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -123.95 175.96 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CD2' ' H ' ' A' ' 9' ' ' MET . 9.8 t-160 -67.13 71.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 147.51 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -112.19 167.34 10.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.449 ' C ' HG23 ' A' ' 89' ' ' VAL . 3.3 tpt -105.93 143.71 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 88' ' ' MET . 75.4 t -154.2 152.05 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 86.1 m-85 -120.13 128.3 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 15.8 tp -113.09 119.44 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.636 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -119.59 122.57 41.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.666 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.4 p90 -137.55 168.05 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.4 pt-20 -116.11 150.51 37.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 96' ' ' GLU . . . 70.07 25.43 75.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 44.1 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.259 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.92 -166.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 23' ' ' VAL . 92.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ttp -98.52 136.84 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' OG ' ' A' ' 87' ' ' SER . 41.5 mt -119.12 158.64 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -111.9 105.25 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.5 m -93.31 155.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.872 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -124.69 122.77 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 170.55 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -72.02 -15.08 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.46 -24.02 19.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.53 168.43 16.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 tp -72.82 122.73 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 21.6 mt-10 -118.89 153.2 34.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -118.52 145.89 44.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 ' CG1' ' A' ' 37' ' ' ILE . 59.6 t -137.23 145.91 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -98.09 131.3 44.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' THR . 7.5 m -129.08 -167.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' C ' ' NE2' ' A' ' 27' ' ' HIS . 1.6 m-20 -103.04 -45.0 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 158.68 -149.85 20.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -31.96 5.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -45.54 -24.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -91.53 152.83 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.808 HG22 ' HG3' ' A' ' 77' ' ' ARG . 58.1 p -110.4 168.96 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.94 HG12 ' HD2' ' A' ' 34' ' ' LYS . 72.1 t -48.61 -38.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -55.73 -53.01 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.02 -31.12 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD22 HG21 ' A' ' 78' ' ' ILE . 6.6 tp -67.8 -58.08 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.94 ' HD2' HG12 ' A' ' 30' ' ' VAL . 31.8 mttt -49.49 -47.4 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -52.2 -39.7 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.7 mt -64.42 -69.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.866 ' CG1' HG21 ' A' ' 21' ' ' VAL . 3.1 mt -54.9 -19.85 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.561 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.15 -33.98 63.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.74 -40.6 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 27.6 mt-30 -65.34 -60.61 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD22 ' OE2' ' A' ' 19' ' ' GLU . 15.4 mt -80.7 -2.28 46.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 52.71 51.73 15.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.809 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.1 mt -123.62 144.42 44.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.809 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 133.95 17.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 34' ' ' LYS . 7.3 mt -55.77 -58.39 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -39.36 -29.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ILE . 18.5 m-20 -91.11 -45.78 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' A' ' 43' ' ' ILE . 22.0 mt-30 -47.62 137.14 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 24.3 m -135.52 106.09 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.2 mm? -85.12 136.92 33.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 56' ' ' LEU . 3.7 t -159.45 128.24 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.497 HG21 ' HG ' ' A' ' 81' ' ' LEU . 22.6 p -88.48 38.07 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.39 126.61 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -58.33 -20.52 44.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 17.2 m-20 -55.78 -22.96 27.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -52.54 -47.57 66.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 13' ' ' ARG . 20.8 mt -64.3 -20.53 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.48 -31.84 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -66.31 120.78 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -112.33 -28.6 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -84.65 157.5 60.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.11 19.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -84.88 -31.62 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.644 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.0 t0 -66.03 -44.95 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.0 m-85 -53.6 -22.68 9.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' THR . 9.3 mt -80.24 -18.37 49.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' ASP . . . -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 71.1 m-85 -98.42 94.92 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 66' ' ' LEU . 76.8 p -120.32 44.95 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.73 -31.35 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' HD22 ' A' ' 76' ' ' LEU . 92.4 mtp -128.38 37.16 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.3 -30.47 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.83 123.86 88.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.1 18.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.83 1.21 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.633 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.16 145.73 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.808 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.8 mpt_? -104.79 151.17 24.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.54 HG21 HD22 ' A' ' 33' ' ' LEU . 5.3 pt -67.34 -9.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -67.08 -25.14 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -63.61 -27.74 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.721 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -95.79 -22.31 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 74.36 33.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.509 HD23 ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -58.54 101.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.49 171.69 9.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -58.52 100.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.07 24.27 7.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.461 ' OG ' HD22 ' A' ' 10' ' ' LEU . 65.3 p -72.72 -175.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.445 ' C ' HG23 ' A' ' 89' ' ' VAL . 4.7 tpt -123.02 142.03 51.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' ARG . 83.1 t -154.35 160.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.7 m-85 -126.42 132.81 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' ILE . 24.7 tp -111.79 117.23 32.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -117.69 125.42 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.6 p90 -143.75 171.8 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.64 136.42 52.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.61 176.5 49.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.31 -175.84 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -85.66 165.02 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -79.81 148.91 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -134.07 166.31 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -108.78 111.86 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.66 100.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -80.02 123.2 27.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 p -121.34 155.43 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -55.27 -22.71 19.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -39.29 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.58 168.67 29.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.78 103.62 5.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -105.19 160.44 15.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -121.88 152.75 39.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.876 HG13 ' CD ' ' A' ' 40' ' ' GLN . 47.8 t -150.51 146.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -91.78 145.35 24.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 8' ' ' THR . 14.3 m -132.91 -165.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.4 m-20 -103.2 -62.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 171.61 -158.01 28.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.84 -17.62 9.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.589 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -93.31 166.62 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -120.6 165.76 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.1 t -45.13 -36.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -55.41 -56.83 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.02 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 7.8 tp -64.76 -51.15 63.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 50' ' ' LEU . 27.8 mttt -55.18 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.75 -46.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.0 mt -55.15 -70.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.729 HG22 ' OE1' ' A' ' 48' ' ' GLN . 2.1 mp -55.84 -41.25 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.63 -33.52 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -58.76 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.876 ' CD ' HG13 ' A' ' 21' ' ' VAL . 29.2 mt-30 -50.3 -55.49 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.703 ' CG ' HG23 ' A' ' 37' ' ' ILE . 11.0 mt -79.27 -16.0 57.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 64.81 53.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 93' ' ' TYR . 29.0 mt -128.98 141.97 43.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 130.6 13.43 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.3 mt -48.29 -58.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.17 -30.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 29.5 m-20 -92.2 -45.01 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.729 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.8 mt-30 -54.17 137.7 40.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.488 ' H ' HD12 ' A' ' 91' ' ' LEU . 23.1 m -134.59 114.97 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.4 mm? -91.95 135.38 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.479 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.6 t -163.02 153.42 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' HD13 ' A' ' 81' ' ' LEU . 1.2 p -102.93 33.62 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.2 146.82 39.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -79.52 -18.42 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HA ' ' CD1' ' A' ' 58' ' ' LEU . 60.3 m-20 -66.39 -15.86 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -64.23 -43.98 93.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 13' ' ' ARG . 33.3 mt -55.44 -20.68 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 12.5 mt -74.99 -46.32 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -49.19 110.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -24.95 10.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 p -92.65 155.0 42.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -95.44 -23.54 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.54 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 t0 -81.69 -42.9 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.504 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 14.6 m-85 -54.88 -18.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.49 -14.46 59.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.47 60.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.2 m-85 -103.52 101.1 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 p -123.75 60.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 -28.6 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 81' ' ' LEU . 33.1 mmm -129.69 33.57 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.12 -45.03 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -56.78 120.14 35.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.14 18.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -89.49 -6.99 55.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.581 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -76.36 141.02 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -98.9 152.22 20.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -64.35 -14.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -63.43 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.4 t -61.52 -34.2 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -104.64 -12.04 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.6 m120 62.22 69.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 89' ' ' VAL . 63.7 mt -101.24 122.6 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.49 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -50.59 110.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.48 -26.52 9.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 m -48.28 169.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.1 tpt -121.34 144.5 48.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 83' ' ' LEU . 97.2 t -154.2 156.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.492 ' HD1' HD11 ' A' ' 57' ' ' LEU . 87.5 m-85 -118.6 159.93 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 37' ' ' ILE . 22.2 tp -145.25 121.13 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 56' ' ' LEU . . . -122.67 119.93 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.661 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.8 p90 -134.55 177.0 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.5 pt-20 -123.06 158.38 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 96' ' ' GLU . . . 64.04 30.24 77.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 95' ' ' GLY . 3.2 pt-20 39.98 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -82.32 165.55 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 9' ' ' MET . 12.2 tmm? -96.11 139.08 32.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -122.98 157.92 31.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.64 110.17 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -105.53 97.95 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 p -123.34 154.25 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.61 -36.26 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.28 -33.7 74.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.6 -172.77 37.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 19' ' ' GLU . 2.2 tm? -90.85 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.713 ' N ' HD13 ' A' ' 18' ' ' LEU . 13.2 mt-10 -138.23 157.15 46.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -116.24 141.94 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HG13 ' A' ' 37' ' ' ILE . 99.6 t -134.62 147.49 29.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -98.39 132.25 44.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 m -125.38 -167.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.0 m-20 -104.89 -64.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 177.05 -155.32 17.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.581 1.176 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.69 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.796 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.43 -17.92 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.38 161.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.1 p -116.58 171.46 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.793 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.5 t -50.07 -37.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -54.46 -54.42 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -66.01 -30.59 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.8 tt -65.61 -54.93 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.793 ' HD2' HG12 ' A' ' 30' ' ' VAL . 35.6 mttt -55.71 -65.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.5 m -36.06 -44.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.56 -70.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.828 HG13 HG21 ' A' ' 21' ' ' VAL . 1.5 mp -54.01 -37.79 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.87 -32.2 67.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.98 -54.64 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.562 ' CD ' HG13 ' A' ' 21' ' ' VAL . 22.1 mt-30 -55.3 -55.26 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -79.31 -14.46 58.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.01 55.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.5 mt -132.18 142.73 46.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -48.99 -57.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.27 -29.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 23.8 m-20 -94.24 -42.74 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.637 ' OE1' HG22 ' A' ' 37' ' ' ILE . 10.4 mt-30 -51.48 142.26 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 18.0 m -134.82 105.33 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.1 mm? -89.12 130.85 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' HB3' HD22 ' A' ' 56' ' ' LEU . 6.3 t -161.43 139.64 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.749 ' CG2' HD13 ' A' ' 81' ' ' LEU . 17.9 p -88.9 35.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 134.37 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -74.81 -13.53 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -71.39 -9.28 57.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 49' ' ' THR . 12.4 tp -62.87 -46.69 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.512 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 9.9 mp -55.43 -21.06 14.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.75 -36.87 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.657 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -53.85 120.85 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.6 -32.12 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -97.68 175.05 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -74.08 -32.02 63.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -74.78 -20.75 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 12.5 m-85 -90.24 -34.33 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.68 -28.55 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' N ' HD12 ' A' ' 66' ' ' LEU . . . -57.34 -20.82 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.85 97.18 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 22.6 p -121.91 68.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -98.99 -40.57 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.619 ' CG ' HD11 ' A' ' 81' ' ' LEU . 56.9 mtp -122.72 42.25 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.68 -41.03 24.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.15 119.09 49.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.33 19.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -94.45 7.93 43.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -89.89 140.99 29.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.542 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.1 mpp_? -92.29 151.48 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.65 ' CG2' HD12 ' A' ' 33' ' ' LEU . 4.9 pt -64.32 -17.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -63.54 -24.97 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -53.4 -36.36 61.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.765 HD12 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -106.75 -11.59 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.79 69.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.765 HD21 HD12 ' A' ' 81' ' ' LEU . 2.4 mm? -91.07 104.07 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.31 172.95 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.613 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -22.32 22.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -44.98 168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.1 tpt -111.98 145.06 40.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 61.7 t -151.69 150.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 94.6 m-85 -123.32 138.83 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 37' ' ' ILE . 14.0 tp -122.69 151.24 41.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.533 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -150.35 131.87 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -143.35 160.08 41.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.7 OUTLIER -98.98 136.31 39.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 90.31 -127.19 8.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.15 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -80.47 167.13 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.384 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 m -124.84 143.8 50.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -107.42 136.59 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.7 -70.64 0.31 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -63.47 134.14 55.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -105.53 122.42 45.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.59 162.39 43.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.1 m -114.78 135.07 54.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 1.6 ttp -127.82 138.07 52.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 84' ' ' ALA . 17.6 mt -123.12 156.22 35.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' O ' ' SD ' ' A' ' 88' ' ' MET . 15.7 mtt180 -107.19 106.81 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -96.99 147.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.817 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.97 123.92 46.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.66 173.78 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.952 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -71.32 -27.14 63.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -78.25 -29.25 48.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.35 169.25 19.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.36 125.05 26.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 12' ' ' VAL . 24.3 mt-10 -122.05 167.92 12.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -131.39 148.44 52.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.798 HG21 ' CG1' ' A' ' 37' ' ' ILE . 98.4 t -136.01 149.16 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD13 ' A' ' 36' ' ' LEU . 5.9 t -96.14 133.49 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.7 m -127.14 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.712 ' OD2' HG21 ' A' ' 28' ' ' ILE . 2.4 m-20 -109.13 -50.77 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.61 -161.47 34.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.95 -24.57 12.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.63 -17.79 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.626 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 ' OD2' ' A' ' 24' ' ' ASP . 1.2 pp -87.82 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -108.48 166.88 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.825 ' CG2' HD23 ' A' ' 76' ' ' LEU . 70.7 t -48.45 -37.74 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -56.26 -44.47 79.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.93 -32.99 65.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.5 tp -63.67 -69.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.818 ' HE3' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -41.68 -46.54 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -53.91 -44.69 70.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 22' ' ' SER . 18.1 mt -59.14 -52.6 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.798 ' CG1' HG21 ' A' ' 21' ' ' VAL . 1.4 mp -67.46 -22.48 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.06 -27.9 48.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -95.14 -14.45 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.572 ' NE2' HG13 ' A' ' 21' ' ' VAL . 67.6 mt-30 -103.2 -60.79 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.604 HD12 HD22 ' A' ' 91' ' ' LEU . 20.9 mt -77.62 -6.29 53.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 55.1 mm-40 57.22 31.95 20.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.762 HG23 ' HD2' ' A' ' 44' ' ' PRO . 89.3 mt -102.94 143.43 26.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.05 144.43 30.07 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.43 -30.27 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 10.6 p-80 -70.37 -6.57 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 38.4 m-20 -117.98 -41.2 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.624 ' HG3' HG22 ' A' ' 43' ' ' ILE . 36.2 mt-30 -46.37 135.35 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 28.3 m -135.18 101.92 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.818 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.0 mm? -85.61 142.27 29.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 56' ' ' LEU . 7.9 t -163.39 134.94 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.853 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.9 p -90.71 31.42 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.54 137.84 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -71.45 -10.32 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' HD12 ' A' ' 58' ' ' LEU . 17.4 m-20 -66.05 -12.93 58.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 51' ' ' SER . 17.8 tp -67.81 -31.84 71.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.817 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -72.33 -5.93 39.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.512 HD12 ' OD1' ' A' ' 55' ' ' ASN . 35.4 mt -91.5 -42.21 10.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -52.81 121.52 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -110.65 -28.88 8.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.86 175.02 2.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.1 Cg_endo -75.02 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -56.64 -39.38 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.762 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t0 -55.45 -48.56 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 10.8 m-85 -61.52 -28.73 69.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 63' ' ' SER . 56.6 mt -66.77 -11.07 53.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.45 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 61.5 m-85 -96.23 100.08 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -124.27 53.89 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.89 -35.09 8.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 81' ' ' LEU . 69.6 mtp -124.1 45.51 2.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.07 -36.75 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 34.4 t70 -65.56 124.21 86.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.2 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.8 -7.13 47.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.825 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -75.68 143.56 42.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -101.39 147.64 26.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 19.6 pt -60.84 -24.08 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -20.63 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 t -59.31 -34.5 72.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.853 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -105.31 -17.51 14.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.47 75.05 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.3 mm? -99.75 118.06 35.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -110.79 170.69 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -60.7 84.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 150.5 -34.91 0.96 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLY . 15.5 m -41.59 163.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 11' ' ' ARG . 7.7 tpp -117.4 151.31 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' ARG . 55.2 t -149.45 163.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.0 m-85 -125.19 124.85 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.604 HD22 HD12 ' A' ' 41' ' ' LEU . 14.3 tp -98.52 155.22 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.706 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -157.51 120.26 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.462 ' CD1' HD13 ' A' ' 43' ' ' ILE . 37.3 p90 -133.1 156.38 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.72 147.82 23.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.99 -119.57 8.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.98 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -163.71 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.6 p -122.92 -165.34 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mt -103.73 134.83 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.95 173.78 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.06 139.51 2.73 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.7 t -169.31 136.76 1.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.02 95.96 0.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.37 7.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 t -139.25 134.6 32.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 113.12 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.461 1.1 . . . . 0.0 110.979 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 m 44.37 80.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -137.2 143.36 42.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.61 151.16 23.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -110.34 131.48 55.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -136.25 128.82 30.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.13 -130.79 10.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -93.38 137.56 32.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.793 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -117.5 149.79 40.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.6 mt -130.76 149.98 52.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.697 ' HD3' HD21 ' A' ' 18' ' ' LEU . 4.7 mtt180 -107.85 101.68 10.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.85 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.6 m -90.94 155.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.812 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.99 124.1 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 p -120.85 162.58 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -49.84 -41.3 44.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -61.47 -44.44 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.11 -129.56 1.59 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 12' ' ' VAL . 2.0 tp -123.81 131.48 53.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 12' ' ' VAL . 27.6 mt-10 -123.39 159.81 28.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 148.99 50.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.801 HG21 HG13 ' A' ' 37' ' ' ILE . 36.2 t -142.96 155.68 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -99.05 134.41 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' HD13 ' A' ' 36' ' ' LEU . 17.3 m -124.61 -166.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.901 ' OD1' HG21 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -103.66 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . -176.1 -162.55 27.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HA ' HD11 ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.01 -24.65 12.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.04 -18.16 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.901 HG21 ' OD1' ' A' ' 24' ' ' ASP . 1.2 pp -89.08 151.57 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -104.03 170.84 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.653 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.7 t -52.06 -39.27 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -43.09 71.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -72.08 -33.09 67.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 37' ' ' ILE . 2.9 tt -65.78 -73.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HD2' HG13 ' A' ' 30' ' ' VAL . 1.6 mttt -39.94 -43.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -55.44 -48.3 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 23' ' ' VAL . 11.4 mt -57.96 -59.23 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.801 HG13 HG21 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.86 -29.26 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -69.78 -23.74 63.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.72 -35.28 12.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.522 ' CD ' HG13 ' A' ' 21' ' ' VAL . 59.6 mt-30 -83.2 -59.66 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -71.76 -11.27 60.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 55.5 58.97 4.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.634 HG22 ' HG2' ' A' ' 48' ' ' GLN . 37.6 mt -135.35 141.89 39.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.99 125.85 9.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.562 1.822 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -49.66 -56.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.68 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' ILE . 31.8 m-20 -93.88 -41.44 9.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.634 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.6 mt-30 -55.03 138.21 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.929 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 98.0 m -135.57 98.82 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 ' HE1' ' A' ' 71' ' ' MET . 15.6 mt -85.47 142.0 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 56' ' ' LEU . 4.9 t -162.47 141.69 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 HD13 ' A' ' 81' ' ' LEU . 2.0 p -89.7 35.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.86 126.0 15.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.68 -15.73 42.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -64.24 -14.58 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.851 HD21 ' O ' ' A' ' 49' ' ' THR . 23.2 tp -65.43 -32.73 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 13' ' ' ARG . 10.7 mt -70.66 -7.5 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.08 -42.49 12.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.713 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.23 118.77 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -110.58 -26.41 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -95.33 175.28 2.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.05 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.879 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -58.76 -34.54 71.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.713 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.7 t0 -59.76 -45.41 92.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -66.4 -19.37 65.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -76.64 -17.07 59.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.57 -31.99 69.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HE1' ' HB2' ' A' ' 59' ' ' ALA . 70.9 m-85 -90.73 91.76 8.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.2 p -115.67 59.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.99 -39.38 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.586 ' O ' HG11 ' A' ' 30' ' ' VAL . 83.3 mtp -127.48 33.87 4.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.1 -34.48 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.0 t70 -68.67 122.89 86.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -18.61 18.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -90.26 -1.94 57.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.653 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -83.13 136.26 34.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -94.55 152.45 18.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 26' ' ' PRO . 2.4 pt -65.39 -20.01 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.9 t -66.88 -13.79 62.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -65.9 -32.31 73.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -107.57 -16.42 14.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.2 t30 71.75 61.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 81' ' ' LEU . 2.0 mm? -87.44 107.06 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.54 171.3 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.29 108.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.578 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.03 -10.26 13.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -57.48 173.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 110.044 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.553 ' HE1' HD13 ' A' ' 18' ' ' LEU . 5.7 tpt -113.1 145.34 41.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' A' ' 88' ' ' MET . 33.9 t -151.8 155.0 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.0 130.77 53.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.49 155.21 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.929 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -151.39 126.59 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.6 p90 -145.49 147.65 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.3 pt-20 -90.99 135.18 33.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.24 176.06 37.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.102 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.86 -172.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -88.26 165.13 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.4 p -86.96 -168.43 2.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.93 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -51.39 162.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.66 139.22 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -100.49 -68.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 159.74 170.43 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.5 87.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.6 m -79.18 110.66 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -113.94 141.54 47.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.68 92.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.05 -152.32 7.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -97.56 144.71 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -150.68 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.38 -94.54 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 m -114.34 150.24 34.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.2 ttp -127.45 133.29 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.16 156.06 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -103.86 121.27 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 37' ' ' ILE . 78.9 t -107.94 95.44 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -83.51 128.71 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.507 ' O ' HD21 ' A' ' 57' ' ' LEU . 86.7 p -109.37 176.73 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 9.4 mtp-105 -34.64 -59.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -140.51 37.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.15 109.5 0.5 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.8 tp -100.19 97.37 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.97 167.03 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.14 153.44 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG21 ' CG1' ' A' ' 37' ' ' ILE . 43.8 t -137.52 145.29 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -98.62 133.32 43.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.038 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -122.56 -165.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 55.5 m-20 -105.27 -37.33 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 155.33 -157.16 27.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.51 11.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -55.1 -18.24 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -88.99 151.68 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -107.54 171.77 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 71' ' ' MET . 54.3 t -52.66 -38.49 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -55.4 -45.99 76.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -72.27 -30.43 64.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.65 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.65 -51.3 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -48.73 -45.8 40.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.7 mt -57.48 -70.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.886 ' CG1' HG21 ' A' ' 21' ' ' VAL . 4.6 mt -51.62 -33.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -61.65 -29.49 70.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 2.6 t70 -92.09 -57.83 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.663 ' NE2' HG13 ' A' ' 21' ' ' VAL . 38.4 mt-30 -53.53 -58.15 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.5 mt -76.86 -12.26 59.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.8 mm-40 59.42 54.73 4.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 44' ' ' PRO . 42.3 mt -128.42 142.07 43.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 132.99 16.07 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' ASN . 5.5 mt -48.86 -58.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -41.26 -28.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 16.2 m-20 -93.93 -46.21 7.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.758 ' OE1' HG22 ' A' ' 37' ' ' ILE . 17.7 mt-30 -53.44 132.38 39.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.765 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.9 m -135.04 100.44 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD22 ' A' ' 33' ' ' LEU . 15.7 mt -86.01 143.36 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.697 ' HB3' HD22 ' A' ' 56' ' ' LEU . 11.8 t -162.37 144.62 10.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.76 HG21 HD13 ' A' ' 81' ' ' LEU . 6.1 p -90.88 22.58 3.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -126.87 112.44 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.48 -19.52 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 14.6 m-80 -61.1 -16.72 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 51' ' ' SER . 25.2 tp -59.3 -46.43 88.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 14' ' ' SER . 11.1 mp -53.52 -23.05 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -72.89 -49.28 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.693 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -41.22 122.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -110.02 -29.68 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -96.94 172.98 4.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -43.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.769 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.9 p -61.85 -33.21 73.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.653 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -60.26 -45.21 94.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 14.7 m-85 -65.05 -22.95 67.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 63' ' ' SER . 77.9 mt -71.27 -17.03 62.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.81 -25.32 63.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -102.82 99.81 9.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.1 p -126.34 65.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.75 -28.1 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 81' ' ' LEU . 78.3 mtp -133.2 32.18 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.64 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 44.6 t0 -63.96 123.12 80.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.35 6.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 73' ' ' ASP . 15.9 p30 -84.72 7.23 21.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -92.81 139.78 30.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -94.26 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 33' ' ' LEU . 16.6 pt -69.93 -23.15 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.8 p -54.77 -26.09 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.8 t -55.63 -28.79 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -110.41 -13.06 14.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 66.21 70.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.437 HD11 HD12 ' A' ' 81' ' ' LEU . 92.1 mt -104.85 108.63 20.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.23 171.26 8.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.1 t60 -43.03 123.26 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.71 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -48.29 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.3 tpt -123.72 146.04 48.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' MET . 10.2 t -152.08 144.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 77.5 m-85 -112.67 159.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.734 HD12 ' H ' ' A' ' 92' ' ' ALA . 13.0 tp -131.19 157.34 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.765 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.14 120.09 5.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 5.4 p90 -130.47 162.64 28.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -103.63 136.04 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 80.65 -120.52 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.07 -175.3 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -85.32 169.15 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.9 p -89.87 -167.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.79 119.13 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.39 158.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -164.21 -125.45 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.0 165.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.96 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.02 116.95 0.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.439 1.087 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 111.35 3.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 120.11 38.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.29 113.69 27.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 48.22 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.75 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 114.39 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.36 104.77 0.22 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -76.05 127.93 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -63.62 -60.23 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.952 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.65 -108.96 0.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.6 m -116.96 111.56 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.453 ' C ' HD22 ' A' ' 10' ' ' LEU . 1.1 ttp -107.07 131.9 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -109.94 123.57 49.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 102.46 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.017 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.6 m -94.73 155.33 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -121.12 124.91 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.21 153.07 36.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -53.67 -29.04 36.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.4 -24.13 46.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.22 -176.27 32.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.01 129.28 35.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.9 mt-10 -125.19 151.94 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -119.96 141.22 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.778 HG21 HG13 ' A' ' 37' ' ' ILE . 92.3 t -135.96 146.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -96.5 137.4 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.13 -166.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 83.1 m-20 -105.25 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 172.43 -159.11 29.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.87 12.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.17 -18.2 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.588 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -93.58 162.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 28' ' ' ILE . 36.3 p -113.95 178.46 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.687 HG12 ' HD2' ' A' ' 34' ' ' LYS . 42.4 t -58.69 -37.56 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.5 p -55.1 -45.93 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -72.81 -30.35 63.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 78' ' ' ILE . 1.9 tt -68.9 -58.77 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.769 ' CG ' HD23 ' A' ' 50' ' ' LEU . 67.8 mttt -52.81 -47.72 67.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -51.97 -40.63 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.73 -66.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.778 HG13 HG21 ' A' ' 21' ' ' VAL . 1.7 mp -55.25 -29.65 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.42 -30.54 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.5 -41.39 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.723 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.5 mt-30 -69.64 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.687 ' CG ' HG23 ' A' ' 37' ' ' ILE . 13.4 mt -76.56 -10.2 59.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 100' ' ' ARG . 40.5 mm-40 60.11 52.54 5.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.0 mt -126.61 141.31 39.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.96 130.25 13.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.18 -33.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -64.59 -11.03 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 39.6 m-20 -115.98 -42.96 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.765 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.3 mt-30 -49.79 139.39 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.839 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.53 108.41 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.769 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.0 mm? -94.06 140.78 29.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.512 ' CB ' HD13 ' A' ' 56' ' ' LEU . 14.4 t -161.62 162.72 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.761 HG21 HD13 ' A' ' 81' ' ' LEU . 49.7 p -113.32 33.65 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.01 140.91 40.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -72.39 -16.74 61.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 85.0 m-20 -65.19 -12.16 48.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 68' ' ' PHE . 15.8 tp -56.4 -49.82 73.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.9 mp -66.31 -11.5 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.98 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -84.94 -26.88 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -71.18 120.71 17.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -111.32 -29.37 7.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.94 166.08 23.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.85 3.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 66' ' ' LEU . 41.4 m -73.17 -28.51 62.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.633 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.26 -44.25 92.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.677 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 28.0 m-85 -64.99 -18.42 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.1 mt -75.63 -3.46 34.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.43 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 56' ' ' LEU . 39.6 m-85 -90.49 93.39 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 64.6 p -112.61 44.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.98 -49.07 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 93.3 mtp -113.39 35.95 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.85 -31.01 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -77.47 121.43 84.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -20.12 17.2 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -92.88 8.41 39.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 141.04 29.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.27 151.34 19.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.831 HG21 HD12 ' A' ' 33' ' ' LEU . 5.0 pt -71.51 -16.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 t -63.73 -19.74 65.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 t -64.85 -36.26 83.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.885 HD12 HD21 ' A' ' 83' ' ' LEU . 2.8 mt -91.87 -26.23 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 27.3 t30 80.08 43.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.235 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -72.06 138.67 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.29 168.84 18.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.36 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.17 -17.04 3.86 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 m -52.31 171.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -121.52 144.53 48.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.017 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -150.91 161.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 97.9 m-85 -125.9 131.3 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 41' ' ' LEU . 8.5 tp -106.69 145.01 32.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.839 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -144.81 124.14 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.5 p90 -140.43 165.49 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -101.56 137.03 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.85 178.66 8.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.05 -173.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -88.82 -166.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.9 p -116.08 -174.75 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.16 141.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.439 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -60.46 145.28 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -158.3 149.45 19.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 98.5 p -152.72 145.19 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.04 103.17 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.69 6.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.0 m -152.69 173.66 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 t -99.67 145.67 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.945 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -121.24 97.51 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 0.781 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.74 78.45 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.39 70.85 0.51 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.3 p -66.32 137.98 57.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.47 100.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.65 -118.17 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -109.21 136.31 48.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 17.0 tmm? -111.64 148.39 33.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 10' ' ' LEU . 9.3 mt -129.23 147.62 51.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -106.23 101.09 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -90.46 155.72 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -122.88 124.11 42.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 p -119.01 151.27 38.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -41.78 -39.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.53 -50.02 73.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.13 -129.95 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' CD1' ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -128.5 131.67 48.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.654 ' OE1' HD22 ' A' ' 41' ' ' LEU . 23.1 mt-10 -124.02 159.7 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 147.79 47.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.832 HG21 HG13 ' A' ' 37' ' ' ILE . 35.1 t -141.02 155.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 t -101.22 131.98 46.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.45 -164.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.98 -62.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.73 -155.01 20.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.41 -17.99 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.57 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -91.47 167.63 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -123.76 165.36 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 71' ' ' MET . 75.5 t -48.29 -31.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.5 p -60.3 -46.4 90.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -75.62 -37.5 59.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HG21 ' A' ' 78' ' ' ILE . 8.0 tp -59.74 -55.76 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.647 ' HD2' HG12 ' A' ' 30' ' ' VAL . 23.6 mttt -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -38.82 -46.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.3 mt -55.29 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.832 HG13 HG21 ' A' ' 21' ' ' VAL . 1.9 mp -52.73 -36.57 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.05 -31.95 67.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 6.7 t70 -89.24 -59.62 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CD ' HG13 ' A' ' 21' ' ' VAL . 23.1 mt-30 -52.06 -56.25 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.786 HD12 HG23 ' A' ' 37' ' ' ILE . 13.5 mt -77.97 -10.63 59.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 57.75 52.56 8.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.607 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -126.92 142.07 42.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.6 mt -47.24 -58.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -40.82 -28.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -93.58 -43.43 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.763 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.5 mt-30 -56.1 133.87 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.3 m -134.76 99.1 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.353 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.485 ' HB3' ' HE2' ' A' ' 71' ' ' MET . 9.1 mt -86.03 136.85 33.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.591 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.7 t -161.77 150.75 15.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.714 ' CG2' HD13 ' A' ' 81' ' ' LEU . 2.9 p -94.12 33.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -129.45 134.77 47.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -10.45 59.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.9 -12.8 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 49' ' ' THR . 12.8 tp -57.91 -42.53 84.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 13' ' ' ARG . 9.1 mp -59.93 -30.21 68.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 mt -65.68 -50.26 65.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.67 121.33 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.74 -28.76 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.45 170.27 7.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -40.63 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.559 1.82 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.947 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -62.45 -31.97 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.06 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.703 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -63.1 -48.06 80.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 29.2 m-85 -62.56 -24.27 67.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' A' ' 63' ' ' SER . 71.8 mt -67.93 -11.0 57.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.23 -29.14 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 56' ' ' LEU . 39.4 m-85 -100.11 104.5 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.8 p -126.19 50.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -96.32 -32.8 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.709 ' O ' HG11 ' A' ' 30' ' ' VAL . 7.3 mmm -123.17 31.78 5.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.27 -35.7 30.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -66.58 119.12 60.51 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.21 18.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.561 1.821 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -92.06 0.85 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.507 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.79 144.06 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -100.29 150.36 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.456 HG21 HD22 ' A' ' 33' ' ' LEU . 17.7 pt -64.56 -19.6 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -31.41 69.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.7 t -49.92 -36.28 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -100.04 -18.96 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.5 t30 76.04 48.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 81' ' ' LEU . 38.8 mt -78.92 118.95 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.85 168.78 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -51.35 107.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.66 -30.26 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -45.16 167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.528 ' CE ' ' CD1' ' A' ' 18' ' ' LEU . 5.5 tpt -112.83 145.7 40.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 88' ' ' MET . 56.4 t -148.9 157.26 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 98.2 m-85 -125.26 130.23 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 tp -105.24 157.95 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.747 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.24 120.1 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.442 ' CB ' HG21 ' A' ' 43' ' ' ILE . 14.6 p90 -140.67 149.75 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.2 tt0 -96.94 136.51 37.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 70.72 162.49 4.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -176.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -84.29 167.21 16.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 p -74.04 -166.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 mt -101.92 136.81 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.06 161.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.75 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 t -164.34 156.97 17.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.29 -140.35 4.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 98.98 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.13 86.62 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 m -99.77 96.58 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -103.99 82.69 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.018 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -121.56 145.49 47.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.87 -177.22 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 m -70.34 147.1 50.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -66.36 -49.25 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.27 55.85 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -121.12 114.98 22.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.413 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -111.33 130.58 55.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.52 133.98 52.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.9 ttt180 -93.08 100.37 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.984 HG22 ' CG1' ' A' ' 89' ' ' VAL . 62.8 t -96.33 149.85 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.842 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -120.45 134.19 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -121.43 -174.72 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -93.58 27.02 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -154.19 27.9 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.77 174.85 19.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -89.66 129.5 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -113.05 147.69 36.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 146.57 34.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.872 HG21 HG13 ' A' ' 37' ' ' ILE . 60.3 t -139.72 157.68 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -106.26 130.32 54.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 24' ' ' ASP . 2.8 m -122.57 -164.87 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 23' ' ' VAL . 22.1 m-20 -115.28 -45.86 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 165.08 -161.12 34.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.94 -24.35 13.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.49 -18.49 7.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.535 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -88.11 151.4 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 77' ' ' ARG . 49.5 p -107.38 167.3 10.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.845 HG11 ' O ' ' A' ' 71' ' ' MET . 72.8 t -47.47 -39.0 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -42.83 80.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -75.32 -34.21 61.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.5 HD23 HD12 ' A' ' 37' ' ' ILE . 3.4 tt -62.6 -56.84 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HD2' HG12 ' A' ' 30' ' ' VAL . 33.1 mttt -53.47 -65.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.4 m -37.16 -48.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 23' ' ' VAL . 13.3 mt -52.77 -53.52 47.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.872 HG13 HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -67.3 -50.96 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -45.36 -27.24 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t70 -93.19 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' NE2' HG13 ' A' ' 21' ' ' VAL . 42.4 mt-30 -53.21 -56.07 19.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD12 HG23 ' A' ' 37' ' ' ILE . 13.7 mt -76.09 -17.07 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 59.0 mm-40 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 44' ' ' PRO . 33.9 mt -135.53 142.84 42.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.03 123.24 7.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 34' ' ' LYS . 6.3 mt -50.06 -43.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -49.07 -22.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 45' ' ' ILE . 37.6 m-20 -104.26 -35.86 7.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG2' HG22 ' A' ' 43' ' ' ILE . 12.9 mt-30 -61.78 139.42 58.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.762 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 1.8 m -135.43 102.6 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.51 141.0 30.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 56' ' ' LEU . 8.3 t -159.65 171.6 19.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -118.83 35.11 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -143.65 117.44 9.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.19 -20.4 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 49.4 m-80 -63.05 -13.84 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.746 HD21 ' O ' ' A' ' 49' ' ' THR . 40.8 tp -64.05 -29.81 70.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.842 HD11 ' HG2' ' A' ' 13' ' ' ARG . 29.4 mt -73.48 -12.78 60.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.2 mt -81.3 -43.9 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -51.04 120.45 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -110.71 -29.92 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.0 171.4 7.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.56 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.847 ' HA ' HD12 ' A' ' 66' ' ' LEU . 5.0 t -61.23 -28.41 69.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.73 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -66.26 -46.77 75.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 18.4 m-85 -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 63' ' ' SER . 79.1 mt -71.46 -11.04 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.42 57.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 56' ' ' LEU . 36.3 m-85 -102.85 101.7 11.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -128.37 61.72 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -40.3 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.845 ' O ' HG11 ' A' ' 30' ' ' VAL . 95.8 mtp -112.76 24.38 12.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.17 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -78.23 119.49 77.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -25.37 11.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -84.51 3.48 36.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.462 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -87.96 139.94 30.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HG3' HG22 ' A' ' 29' ' ' THR . 23.0 mtt180 -99.27 147.34 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 33' ' ' LEU . 29.6 pt -61.69 -15.0 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.2 p -67.98 -30.04 69.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -61.16 -31.44 71.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 71' ' ' MET . 0.6 OUTLIER -100.8 -8.0 23.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 63.85 71.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 87' ' ' SER . 33.3 mt -112.23 125.65 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -137.28 171.91 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.7 t-160 -52.82 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.622 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.42 -14.28 4.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 83' ' ' LEU . 6.4 t -62.72 174.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -126.07 145.81 50.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.984 ' CG1' HG22 ' A' ' 12' ' ' VAL . 10.3 p -151.94 157.48 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.6 m-85 -124.7 134.14 52.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 48' ' ' GLN . 22.5 tp -106.56 158.8 16.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.762 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -154.7 119.97 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.4 p90 -142.84 150.43 39.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -95.62 135.74 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.8 176.94 46.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.17 -172.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -86.16 176.12 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -93.78 -168.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.6 145.12 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.92 157.51 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -148.77 121.68 1.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.2 m -68.13 -58.92 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.16 87.05 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.19 34.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 t -165.84 144.64 6.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.4 p -77.29 116.97 18.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -78.68 88.17 4.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.51 91.15 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.26 -157.12 14.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.87 167.41 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -104.75 -56.93 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.03 -156.66 0.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.4 m -92.17 141.16 28.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.4 ttp -121.71 136.52 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' ' HG2' ' A' ' 9' ' ' MET . 21.5 mt -120.44 156.4 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -96.87 120.22 36.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 91' ' ' LEU . 28.8 t -117.52 105.51 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -79.47 123.67 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -127.46 169.9 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -49.32 -54.74 15.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.26 -41.56 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.96 -114.07 0.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 tp -129.13 103.91 7.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -101.92 155.71 17.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 156.68 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.681 HG21 HG12 ' A' ' 37' ' ' ILE . 39.6 t -142.19 146.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -96.35 132.83 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 m -119.46 -168.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.28 -47.03 3.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 170.1 -170.23 42.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -75.06 -25.12 12.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -52.43 -20.64 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.4 pp -85.31 155.87 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 28' ' ' ILE . 45.0 p -101.28 171.16 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.516 ' CG2' HD23 ' A' ' 76' ' ' LEU . 37.9 t -53.04 -47.08 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 p -47.63 -49.02 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.24 -28.92 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -71.66 -54.51 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 50' ' ' LEU . 2.2 mtpm? -48.68 -61.07 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 m -41.45 -54.65 3.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.0 mt -45.43 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.825 HG22 ' OE1' ' A' ' 48' ' ' GLN . 6.4 mt -52.38 -44.78 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -54.31 -30.56 51.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.5 t0 -87.73 -65.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.65 ' CD ' HG13 ' A' ' 21' ' ' VAL . 43.9 mt-30 -48.69 -55.34 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.4 mt -75.73 -17.89 59.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 77.5 mm-40 64.52 40.51 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 44' ' ' PRO . 59.7 mt -113.61 142.48 27.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.07 131.19 13.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.448 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -46.76 -60.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -39.79 -29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.4 m-20 -92.65 -47.06 7.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.825 ' OE1' HG22 ' A' ' 37' ' ' ILE . 16.1 mt-30 -51.3 136.38 24.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 92' ' ' ALA . 19.4 m -135.09 104.93 6.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 34' ' ' LYS . 1.9 mm? -87.08 133.05 33.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -163.34 141.22 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.4 p -91.38 34.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -138.56 145.94 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 4.3 ptm180 -76.62 -25.9 54.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -51.02 -22.85 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -54.15 -39.56 66.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.786 HD11 ' HG2' ' A' ' 13' ' ' ARG . 14.7 mt -70.42 -22.43 62.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.45 -35.22 47.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.48 116.05 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -110.98 -25.9 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.11 162.06 33.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -25.07 12.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.718 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.0 -31.34 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 17.9 t0 -62.01 -46.95 86.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.87 -25.72 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 63' ' ' SER . 42.9 mt -69.45 -9.68 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.04 64.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 64.6 m-85 -93.52 95.8 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -118.9 46.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.41 -47.01 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.608 ' CG ' HD11 ' A' ' 81' ' ' LEU . 83.4 mtp -114.72 45.48 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.28 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -65.58 120.33 67.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.9 16.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -90.52 6.23 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -90.68 138.68 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -94.15 142.1 27.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.566 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 13.4 pt -57.33 -25.2 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t -57.02 -31.11 64.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -52.89 -43.19 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.608 HD11 ' CG ' ' A' ' 71' ' ' MET . 2.1 mt -89.91 -15.27 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 64.92 74.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.6 mt -107.82 119.17 38.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.3 165.36 17.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 2.8 t-160 -48.12 107.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.5 -35.97 2.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.8 t -44.85 169.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 13.9 tpt -120.78 147.43 45.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 88' ' ' MET . 98.0 t -153.74 154.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 54' ' ' ARG . 80.3 m-85 -115.59 157.68 23.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 37' ' ' ILE . 52.2 tp -139.94 120.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.611 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -122.12 120.33 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 4.4 p90 -131.98 169.4 16.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 2.6 tt0 -105.65 137.71 43.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 64.0 148.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . 3.1 pt-20 -49.62 179.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -76.98 162.74 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 p -67.13 -166.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.5 mt -81.73 154.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 52.81 72.92 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.89 -67.11 1.63 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.427 1.079 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -63.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.059 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.11 161.1 27.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 87.88 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.8 m -54.8 128.2 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.59 136.77 34.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.936 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -136.97 97.67 3.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -110.42 110.09 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.09 173.6 2.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.94 165.11 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -173.51 146.93 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.48 -166.63 17.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 23' ' ' VAL . 23.9 m -105.27 110.27 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ttp -111.34 132.14 54.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.7 130.73 55.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HG2' ' CD2' ' A' ' 18' ' ' LEU . 3.1 ttt180 -81.78 127.6 33.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -122.37 106.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.769 HH11 HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -80.84 135.21 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 59.3 p -129.77 162.64 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -14.04 62.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -93.57 -13.06 28.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.77 157.02 7.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.769 HD12 HH11 ' A' ' 13' ' ' ARG . 0.7 OUTLIER -72.18 132.63 44.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 69.4 mt-10 -134.32 170.61 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.5 143.19 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.793 HG11 HG13 ' A' ' 37' ' ' ILE . 48.6 t -131.25 145.27 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 36' ' ' LEU . 2.7 t -85.16 155.41 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' THR . 2.9 m -144.73 -164.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.571 ' HB2' HG21 ' A' ' 28' ' ' ILE . 94.4 m-20 -122.75 -45.19 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.79 -163.57 35.87 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.09 13.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.574 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.07 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.566 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.17 148.79 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 77' ' ' ARG . 73.3 p -105.66 172.68 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' HD23 ' A' ' 76' ' ' LEU . 20.6 t -52.6 -37.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 p -56.53 -44.65 81.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -74.76 -32.15 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.0 OUTLIER -66.05 -61.3 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.704 ' CG ' HD23 ' A' ' 50' ' ' LEU . 69.1 mttt -49.49 -51.15 38.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -49.25 -47.18 46.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 22' ' ' SER . 14.5 mt -53.53 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.796 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.8 mp -53.13 -36.21 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -63.62 -29.82 71.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.354 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -92.07 -53.84 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.728 ' OE1' HG13 ' A' ' 21' ' ' VAL . 55.5 mt-30 -56.79 -59.45 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.7 mt -76.8 -9.51 58.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 48.7 mm-40 58.14 54.71 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.638 HD11 ' HE ' ' A' ' 97' ' ' ARG . 51.9 mt -127.45 142.4 43.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.08 128.06 11.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 47' ' ' ASN . 6.2 mt -48.23 -57.32 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -40.45 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 19.5 m-20 -94.2 -45.82 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.796 ' OE1' HG22 ' A' ' 37' ' ' ILE . 14.0 mt-30 -49.58 141.94 8.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 39.1 m -134.54 105.21 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CG ' ' A' ' 34' ' ' LYS . 1.8 mm? -89.58 129.1 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.614 ' HB3' HD22 ' A' ' 56' ' ' LEU . 5.1 t -162.8 136.24 5.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.063 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 p -89.14 34.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.522 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 17.8 t-20 -128.69 113.48 15.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -54.79 -18.5 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 53' ' ' ASN . 84.9 m-20 -65.38 -11.35 41.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' SER . 13.6 tp -60.52 -47.7 85.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.4 -29.25 58.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 -48.98 63.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -44.82 119.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -22.7 11.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.465 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -106.36 176.1 1.81 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.97 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.958 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -49.31 -37.23 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.738 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 t0 -59.97 -54.23 48.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 23.2 m-85 -61.8 -22.59 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' ' 63' ' ' SER . 75.9 mt -70.81 -7.98 49.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.7 31.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.554 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 80.7 m-85 -99.9 119.27 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 p -149.16 49.22 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.12 -33.44 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.881 ' HG2' HD11 ' A' ' 81' ' ' LEU . 55.2 mtp -121.03 47.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.24 -34.34 16.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.07 120.11 77.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -18.57 18.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -90.83 -3.37 57.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.501 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -93.52 146.32 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG2' HD12 ' A' ' 33' ' ' LEU . 15.4 pt -57.6 -27.44 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 p -52.13 -31.51 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 t -55.0 -41.08 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.13 -25.21 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 44.9 t30 79.61 57.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.23 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -111.95 175.81 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -60.0 116.62 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.58 -20.44 27.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.435 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 41.5 m -52.38 161.94 0.59 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.968 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.453 ' C ' HG23 ' A' ' 89' ' ' VAL . 2.9 tpt -108.26 144.82 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 88' ' ' MET . 46.2 t -153.64 153.1 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.547 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 93.5 m-85 -122.5 140.63 52.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.34 153.82 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -153.35 124.49 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.9 p90 -142.01 173.08 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.4 pt-20 -113.87 146.24 40.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.22 171.01 7.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 179.07 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.638 ' HE ' HD11 ' A' ' 43' ' ' ILE . 39.7 mtt180 -81.07 173.56 12.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.9 p -90.53 -167.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.02 130.48 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -66.15 125.97 27.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.17 123.79 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -119.11 -59.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.51 -159.1 21.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.62 90.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.41 131.1 47.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.035 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 m 61.43 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -63.07 115.3 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.93 117.86 4.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -75.35 158.89 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.982 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.29 158.97 38.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.06 -131.18 8.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 m -116.01 119.9 37.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 10' ' ' LEU . 14.3 tmm? -104.73 147.93 27.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 10' ' ' LEU . 12.7 mt -128.54 149.29 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -106.74 100.02 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.941 ' O ' HD22 ' A' ' 18' ' ' LEU . 2.6 m -90.83 139.64 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.732 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -107.67 122.01 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.4 p -124.98 171.72 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 5.9 ptp180 -64.9 -36.57 84.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -70.96 -11.09 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.51 175.88 14.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.941 HD22 ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -71.68 134.27 46.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.1 mt-10 -129.6 155.12 46.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.05 156.85 28.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.705 HG13 ' NE2' ' A' ' 40' ' ' GLN . 60.9 t -153.92 145.39 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -95.92 133.66 39.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.4 -166.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -103.26 -58.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 173.58 -157.28 25.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -75.0 -26.48 10.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.778 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.482 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -54.49 -18.73 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.1 pp -89.37 164.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -120.52 169.99 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 71' ' ' MET . 75.1 t -50.32 -39.42 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 p -52.79 -46.05 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -71.96 -36.44 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.06 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HG23 ' A' ' 45' ' ' ILE . 64.8 mttt -45.53 -49.13 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -50.76 -47.31 59.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.34 -67.77 0.25 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.808 HG22 ' OE1' ' A' ' 48' ' ' GLN . 3.9 mt -53.34 -35.6 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.08 -28.77 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.5 t70 -91.76 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.705 ' NE2' HG13 ' A' ' 21' ' ' VAL . 29.4 mt-30 -51.34 -56.74 11.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.76 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.4 mt -77.38 -13.94 59.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 69.3 mm-40 60.81 52.01 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 44' ' ' PRO . 48.7 mt -125.4 142.09 40.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.09 134.54 17.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.8 mt -51.69 -51.37 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -48.55 -22.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 25.3 m-20 -100.01 -45.69 5.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.808 ' OE1' HG22 ' A' ' 37' ' ' ILE . 22.1 mt-30 -55.34 132.36 47.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.52 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.9 m -135.12 103.59 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.445 HD21 HD13 ' A' ' 91' ' ' LEU . 16.5 mt -89.79 142.63 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 1.6 t -162.25 143.41 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 81' ' ' LEU . 2.4 p -89.56 36.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -145.83 127.08 14.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HA ' ' CE1' ' A' ' 90' ' ' TYR . 1.1 ptt85 -57.48 -23.37 49.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . 2.3 m120 -50.19 -24.28 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.884 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.3 OUTLIER -50.56 -48.35 57.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.732 HD11 ' HG2' ' A' ' 13' ' ' ARG . 5.7 mt -65.13 -23.5 67.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.772 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.74 -36.29 65.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -64.8 119.49 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.28 -27.18 8.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -94.39 174.63 3.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.99 -49.84 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.91 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -56.66 -51.83 67.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 17.5 m-85 -59.47 -21.61 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 63' ' ' SER . 38.1 mt -77.61 -7.59 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.24 -26.8 52.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.74 107.61 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.8 p -133.32 44.13 2.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -100.54 -37.81 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.66 ' O ' HG11 ' A' ' 30' ' ' VAL . 81.9 mtp -116.75 26.67 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 34' ' ' LYS . . . -86.08 -39.11 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 30.4 t70 -59.24 120.85 51.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -17.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -92.68 1.59 57.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.85 144.7 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.84 157.58 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 4.6 pt -73.15 -33.98 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -57.13 -18.45 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -57.81 -31.18 66.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.742 HD12 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -105.1 -22.57 13.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 1.6 t30 81.86 56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.742 HD21 HD12 ' A' ' 81' ' ' LEU . 1.7 mm? -86.07 108.72 18.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -100.82 172.96 6.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.8 97.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.74 -22.39 4.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 74.7 m -43.95 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.8 tpt -109.08 145.22 36.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' ARG . 92.9 t -153.66 157.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.9 m-85 -125.3 137.3 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD22 HG21 ' A' ' 37' ' ' ILE . 19.2 tp -117.34 115.32 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.884 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.09 119.8 38.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 43' ' ' ILE . 16.9 p90 -138.29 159.52 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.433 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 6.6 pt-20 -91.99 145.8 24.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.04 165.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.65 -179.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -75.2 157.79 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 p -63.47 -166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -91.25 135.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.21 138.61 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 124.98 103.51 1.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.38 116.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -169.62 135.64 3.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 57.92 4.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.5 p -131.48 134.54 46.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.5 t -56.44 130.4 44.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.39 142.62 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -154.08 -57.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.73 -122.94 1.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.23 157.25 20.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.52 127.23 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.85 -113.66 0.46 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.6 m -133.24 135.08 44.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.482 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.9 tmm? -120.85 143.9 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 9' ' ' MET . 24.1 mt -132.11 155.86 47.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -103.2 116.56 32.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 78.7 t -103.88 108.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.661 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.72 133.78 40.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 17' ' ' GLY . 56.9 p -107.03 176.73 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.45 -45.97 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.97 36.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 14' ' ' SER . . . -151.28 112.28 0.53 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' HG ' ' CD ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -94.13 126.57 39.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' VAL . 3.9 mt-10 -139.52 167.96 20.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.52 148.88 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 37' ' ' ILE . 57.4 t -137.04 145.7 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.9 t -95.81 132.55 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 m -122.55 -166.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.21 -60.62 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 179.79 -163.7 31.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.56 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -24.16 13.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.64 -18.32 7.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.2 pp -89.42 155.64 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.507 HG22 ' HG3' ' A' ' 77' ' ' ARG . 47.2 p -103.07 163.5 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.886 HG11 ' O ' ' A' ' 71' ' ' MET . 98.8 t -47.85 -44.24 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 74' ' ' PRO . 12.5 p -49.5 -49.5 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.9 -26.84 68.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 37' ' ' ILE . 1.2 tt -73.76 -57.34 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HD3' HG23 ' A' ' 45' ' ' ILE . 1.4 mtpm? -49.34 -49.57 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 m -49.66 -46.17 49.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.19 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.847 ' CG1' HG21 ' A' ' 21' ' ' VAL . 2.6 mt -51.9 -34.49 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.35 -30.77 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 15.6 t0 -91.96 -62.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 52.6 mt-30 -47.48 -57.2 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 37' ' ' ILE . 7.3 mt -77.65 -17.23 57.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 71.0 mm-40 65.07 55.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 44' ' ' PRO . 21.6 mt -130.04 142.43 45.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 134.81 18.21 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.555 HG23 ' HD3' ' A' ' 34' ' ' LYS . 3.1 mt -50.79 -55.9 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -44.32 -25.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.58 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ILE . 19.8 m-20 -96.85 -46.13 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.814 ' OE1' HG22 ' A' ' 37' ' ' ILE . 21.5 mt-30 -55.09 133.22 48.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.729 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 16.2 m -135.42 100.47 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 33' ' ' LEU . 15.4 mt -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.745 ' CB ' HD22 ' A' ' 56' ' ' LEU . 8.0 t -162.58 140.63 8.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.799 HG21 HD13 ' A' ' 81' ' ' LEU . 4.6 p -90.13 32.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.75 113.61 9.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.26 -19.89 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 78.9 m-20 -61.8 -18.59 60.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.745 HD22 ' CB ' ' A' ' 51' ' ' SER . 26.1 tp -60.28 -37.93 82.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.661 HD11 ' HG2' ' A' ' 13' ' ' ARG . 26.5 mt -63.03 -17.34 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.29 -47.75 15.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -43.04 118.43 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.63 -28.24 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -96.3 174.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.08 -48.3 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.797 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.886 ' HA ' HD12 ' A' ' 66' ' ' LEU . 79.6 p -55.7 -38.25 69.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.551 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.0 t0 -57.91 -46.79 84.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.659 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 21.4 m-85 -63.14 -20.91 65.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 63' ' ' SER . 45.3 mt -76.82 -13.01 60.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.66 69.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 56' ' ' LEU . 79.8 m-85 -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.2 p -126.78 50.55 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.51 -30.29 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.886 ' O ' HG11 ' A' ' 30' ' ' VAL . 73.5 mtp -128.8 26.0 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -45.58 13.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 76' ' ' LEU . 33.4 t70 -54.96 120.64 30.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' SER . 18.3 Cg_endo -75.0 -21.22 16.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.97 -3.77 59.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.65 141.17 29.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -99.82 144.52 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.625 HG21 HD12 ' A' ' 33' ' ' LEU . 17.7 pt -54.18 -31.01 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -49.54 -25.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -56.65 -29.59 62.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.799 HD13 HG21 ' A' ' 52' ' ' THR . 0.1 OUTLIER -111.12 -14.21 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m120 64.42 73.0 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -97.01 112.41 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.2 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -62.96 102.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.64 -24.7 4.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.9 t -48.69 172.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 6.7 tpt -116.09 145.67 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 45.3 t -150.2 148.19 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 83.2 m-85 -117.61 159.5 22.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 41' ' ' LEU . 65.7 tp -126.49 161.92 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -161.12 119.26 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.3 p90 -136.38 158.05 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.46 146.52 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.55 -119.93 6.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.94 -175.15 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -81.38 168.12 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.4 p -89.26 -167.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.37 140.78 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.17 155.03 32.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.6 153.89 8.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.84 141.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.58 99.18 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 173.23 14.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 t -176.28 94.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.8 t -109.52 128.52 55.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.12 102.44 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 p 56.83 166.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 159.44 53.87 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -71.7 125.97 28.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -127.85 155.84 43.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 -120.37 21.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.102 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -135.04 131.46 37.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 110.38 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' HD23 ' A' ' 10' ' ' LEU . 19.2 tmm? -109.42 140.55 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 9' ' ' MET . 10.9 mt -125.29 145.85 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HD3' HD21 ' A' ' 18' ' ' LEU . 3.8 mtt180 -104.42 102.52 12.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.01 HG12 ' CG1' ' A' ' 89' ' ' VAL . 10.7 m -95.59 155.15 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -119.41 124.29 46.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLY . 19.5 p -114.47 153.92 29.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.28 -22.09 1.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.19 -34.07 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 168.75 -124.4 1.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -131.07 128.57 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 35.1 mt-10 -125.53 152.45 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.93 153.47 41.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG13 ' CD ' ' A' ' 40' ' ' GLN . 85.9 t -150.64 147.91 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -93.88 132.71 38.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.89 -165.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.59 -62.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 174.01 -157.88 26.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.3 Cg_endo -74.96 -24.81 12.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.68 -18.46 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.23 162.91 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.604 HG22 ' HG3' ' A' ' 77' ' ' ARG . 61.9 p -116.0 165.81 12.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.908 HG12 ' HD2' ' A' ' 34' ' ' LYS . 77.4 t -45.96 -38.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -54.24 -53.78 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.1 -37.66 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 37' ' ' ILE . 7.0 tp -58.72 -54.98 41.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.908 ' HD2' HG12 ' A' ' 30' ' ' VAL . 26.1 mttt -53.31 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 34' ' ' LYS . 6.8 m -33.41 -47.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.3 mt -56.27 -59.55 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -63.45 -44.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -52.04 -27.71 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.43 -63.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.637 ' CD ' HG13 ' A' ' 21' ' ' VAL . 46.3 mt-30 -52.15 -51.83 55.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.743 HD12 HG23 ' A' ' 37' ' ' ILE . 12.3 mt -76.14 -24.61 54.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 68.81 45.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.5 mt -124.51 142.32 40.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.99 125.82 9.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.759 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.567 HD13 ' CB ' ' A' ' 34' ' ' LYS . 9.5 mt -51.05 -44.02 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 44' ' ' PRO . 1.8 p-80 -47.91 -23.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.171 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ILE . 40.0 m-20 -102.25 -41.5 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.611 ' HG2' HG22 ' A' ' 43' ' ' ILE . 11.2 mt-30 -53.48 141.37 25.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -134.85 112.9 11.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.3 mm? -90.0 128.91 36.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -162.19 140.02 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 p -89.6 36.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -136.76 146.85 46.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 3.2 ptm180 -79.87 -22.41 42.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.66 -25.06 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.769 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -49.08 -48.52 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.56 -30.3 65.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.9 mt -70.63 -46.2 63.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.72 116.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -110.97 -24.44 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -103.27 176.92 1.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.5 Cg_endo -74.93 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.759 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.989 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -48.0 -41.95 26.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.735 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 1.6 t0 -57.49 -52.9 63.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 18.6 m-85 -61.7 -22.36 65.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 63' ' ' SER . 37.1 mt -74.35 -13.54 60.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.01 -36.4 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -90.29 104.85 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.7 p -131.11 57.18 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.2 -29.06 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.818 ' SD ' HD11 ' A' ' 81' ' ' LEU . 39.7 mmm -119.37 26.09 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.26 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -62.13 119.69 51.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.74 20.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -94.76 0.44 54.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.657 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -82.31 134.04 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.604 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.4 mpt_? -87.96 153.46 21.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 6.7 pt -69.15 -21.33 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.3 p -60.82 -17.87 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -65.21 -28.88 69.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.818 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -111.28 3.74 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 50.16 65.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.731 HD11 HD12 ' A' ' 81' ' ' LEU . 84.1 mt -93.11 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.88 175.53 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CE1' ' H ' ' A' ' 9' ' ' MET . 3.4 t-160 -67.54 102.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.543 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . . . 124.83 -16.68 7.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 11.1 t -48.65 176.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 110.028 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -121.0 144.27 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.01 ' CG1' HG12 ' A' ' 12' ' ' VAL . 12.2 p -153.59 159.77 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 95.1 m-85 -123.24 135.87 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 48' ' ' GLN . 14.8 tp -117.2 116.21 26.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.769 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -114.25 120.07 39.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -140.28 162.26 35.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 1.4 tt0 -102.85 137.93 40.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 74.86 163.17 10.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -177.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.84 158.4 20.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -76.91 -166.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.16 138.73 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.74 137.08 39.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 145.18 -178.37 23.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m 60.22 113.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -127.63 -154.21 8.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.138 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.95 6.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 p -152.82 99.41 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 m -100.01 132.06 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.53 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 62.06 133.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 -150.4 47.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -54.56 169.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 0.77 . . . . 0.0 109.971 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -134.46 100.74 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.039 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.91 -126.07 2.85 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.5 m -76.38 120.73 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.415 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . 1.7 ttp -115.91 125.33 52.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.34 145.7 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -102.89 101.06 11.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.744 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.6 m -90.39 155.35 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.833 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -122.36 123.18 40.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.6 p -122.23 167.0 13.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -56.9 -44.47 82.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.07 -33.16 74.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.27 -175.4 33.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.7 tp -76.17 130.91 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HG22 ' A' ' 12' ' ' VAL . 10.7 mt-10 -121.62 151.83 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -104.16 156.67 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.618 HG13 ' NE2' ' A' ' 40' ' ' GLN . 94.1 t -157.39 148.37 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -104.08 130.83 51.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.85 -165.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 28' ' ' ILE . 50.8 m-20 -112.55 -42.17 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 159.61 -163.6 33.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.66 12.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.5 -18.59 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.2 pp -87.38 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.2 p -109.45 171.54 7.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.563 ' CG2' HD23 ' A' ' 76' ' ' LEU . 53.5 t -51.12 -38.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.5 p -55.19 -46.41 75.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -73.39 -35.0 65.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 78' ' ' ILE . 5.4 tp -62.61 -52.83 61.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.772 ' HE3' HD23 ' A' ' 50' ' ' LEU . 1.1 mttt -51.05 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 39' ' ' ASP . 85.6 m -36.46 -51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 27.7 mt -50.46 -70.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 48' ' ' GLN . 12.7 mt -53.19 -36.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.01 -22.36 65.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' THR . 16.3 t0 -93.38 -50.36 5.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.618 ' NE2' HG13 ' A' ' 21' ' ' VAL . 46.6 mt-30 -67.38 -59.62 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.743 ' HG ' HG23 ' A' ' 37' ' ' ILE . 5.3 mt -72.44 -12.24 61.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' GLN . 58.6 mm-40 58.15 45.44 17.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 44' ' ' PRO . 19.3 mt -116.23 141.83 28.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 133.0 16.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.577 HG23 ' HG2' ' A' ' 34' ' ' LYS . 5.8 mt -49.1 -53.55 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -46.94 -24.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 44' ' ' PRO . 22.9 m-20 -98.24 -46.87 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 37' ' ' ILE . 19.8 mt-30 -52.19 139.88 22.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.803 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 42.5 m -135.18 110.02 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.772 HD23 ' HE3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -90.25 131.29 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.492 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -162.37 128.76 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB3' ' A' ' 81' ' ' LEU . 52.9 p -89.57 45.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -150.61 123.15 8.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.97 -23.27 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD23 ' A' ' 58' ' ' LEU . 3.1 m-80 -52.89 -27.61 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -51.44 -43.74 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD11 ' HG2' ' A' ' 13' ' ' ARG . 13.2 mt -68.03 -23.68 65.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.63 -33.17 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -58.11 124.78 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.34 -28.99 7.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.65 162.06 23.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.26 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.777 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -74.4 -27.37 60.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 2.4 t70 -70.55 -45.09 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.4 m-85 -54.21 -18.51 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 63' ' ' SER . 18.0 mt -80.83 -14.11 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 69.3 m-85 -91.76 94.99 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 p -119.64 31.38 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.14 -18.01 59.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 50' ' ' LEU . 81.3 mtp -142.86 44.92 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.88 -23.83 15.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.52 124.55 85.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.44 15.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -88.76 0.49 56.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.563 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -86.86 145.49 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 53.5 mtt180 -104.43 149.17 25.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 25.8 pt -67.96 -9.84 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.1 p -66.6 -19.71 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -71.6 -23.11 61.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.24 -9.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.59 63.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 78' ' ' ILE . 88.4 mt -97.87 116.33 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.7 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 9' ' ' MET . 5.3 t-160 -60.99 103.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.53 -25.78 5.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -55.88 167.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 3.5 tpt -108.94 144.82 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' ARG . 46.2 t -148.64 156.96 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.8 m-85 -125.44 137.95 54.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.655 HD22 HD12 ' A' ' 41' ' ' LEU . 22.1 tp -119.65 124.37 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -119.25 119.65 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -140.0 158.19 44.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 3.5 pt-20 -99.01 142.67 30.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.62 159.55 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.49 178.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -79.59 159.24 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.8 p -70.44 -165.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 mt -91.96 140.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -68.52 140.85 55.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.6 151.94 8.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.4 m -140.59 155.81 46.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -105.76 104.07 2.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 t 72.9 106.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -98.5 109.76 22.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -123.38 90.45 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -174.0 113.06 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.55 77.33 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -69.71 150.71 46.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.34 101.57 1.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 m -109.34 128.24 54.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttp -110.22 133.18 53.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -111.68 163.67 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -107.99 108.36 19.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 91' ' ' LEU . 42.3 t -102.73 112.86 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.929 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.47 124.47 34.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.6 p -131.0 164.98 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mtp85 -41.77 -58.1 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -41.06 -46.9 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.16 -113.64 0.53 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 tp -132.13 106.67 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -100.9 156.6 17.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.41 155.5 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CD ' ' A' ' 40' ' ' GLN . 51.8 t -147.8 153.94 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -99.66 133.72 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.71 -165.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.8 m-20 -104.65 -62.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 172.59 -155.19 22.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.4 Cg_endo -74.98 -24.75 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.79 -17.86 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.559 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -95.0 155.96 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -109.23 170.22 8.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.774 HG12 ' HD2' ' A' ' 34' ' ' LYS . 65.6 t -50.29 -38.0 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -48.79 72.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -69.1 -35.33 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 HD12 ' A' ' 37' ' ' ILE . 4.5 tp -61.53 -53.35 57.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.774 ' HD2' HG12 ' A' ' 30' ' ' VAL . 37.2 mttt -55.34 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' LYS . 2.1 m -33.45 -43.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 12.6 mt -59.27 -68.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.78 HG23 ' CD1' ' A' ' 41' ' ' LEU . 1.5 mp -56.28 -40.98 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.37 -37.51 48.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 5.0 t0 -86.21 -63.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.558 ' CD ' HG13 ' A' ' 21' ' ' VAL . 28.1 mt-30 -45.86 -55.32 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.78 ' CD1' HG23 ' A' ' 37' ' ' ILE . 11.4 mt -77.15 -18.94 57.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 39' ' ' ASP . 74.7 mm-40 65.84 45.8 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.695 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.4 mt -123.04 142.85 39.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.03 127.28 10.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' GLN . 11.7 mt -50.31 -56.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.65 -30.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 15.8 m-20 -93.19 -43.57 8.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.65 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.5 mt-30 -51.26 142.81 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.914 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 15.6 m -134.65 110.16 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CE ' ' A' ' 34' ' ' LYS . 3.0 mm? -90.39 130.71 36.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.458 ' OG ' ' CD1' ' A' ' 68' ' ' PHE . 3.8 t -162.71 138.98 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.845 ' CG2' HD13 ' A' ' 81' ' ' LEU . 13.1 p -89.4 35.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.09 146.7 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -24.26 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -53.44 -21.11 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 68' ' ' PHE . 9.5 tp -53.36 -43.17 67.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.929 HD11 ' HG2' ' A' ' 13' ' ' ARG . 17.6 mt -67.84 -21.66 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -78.14 -39.74 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -50.51 119.7 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -110.7 -27.27 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.1 p -91.48 157.16 42.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.71 21.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.887 ' HA ' HD12 ' A' ' 66' ' ' LEU . 18.6 m -88.0 -34.4 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.521 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 7.9 t0 -59.94 -47.53 85.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 13.1 m-85 -57.11 -26.6 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 63' ' ' SER . 27.2 mt -70.5 -9.27 56.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.1 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.502 ' CD2' HD12 ' A' ' 56' ' ' LEU . 63.0 m-85 -99.61 96.68 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 68.8 p -122.54 54.55 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.04 -30.5 8.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.71 ' O ' HG11 ' A' ' 30' ' ' VAL . 46.6 mmm -115.09 22.68 13.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.55 -44.45 19.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -59.82 119.8 44.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.557 1.82 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -88.31 -3.88 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.572 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -79.9 140.15 36.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.21 156.41 16.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 26' ' ' PRO . 5.7 pt -65.33 -22.81 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -57.43 -21.87 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.6 t -57.31 -35.9 70.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.845 HD13 ' CG2' ' A' ' 52' ' ' THR . 0.1 OUTLIER -106.94 -14.75 14.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.3 74.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' LEU . 1.5 mm? -97.5 119.58 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.51 168.56 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.51 114.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.586 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -14.36 30.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 p -55.1 174.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 11.6 tpt -124.1 147.18 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 88' ' ' MET . 84.7 t -153.8 152.71 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 85.7 m-85 -116.56 157.43 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 12' ' ' VAL . 53.2 tp -136.03 128.59 30.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.914 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -126.93 123.97 38.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 7.0 p90 -137.13 158.62 44.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.32 150.58 25.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.56 -120.82 6.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -172.01 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -86.54 173.18 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 2.2 p -101.39 -168.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -92.19 148.1 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 137.6 58.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.02 -156.43 32.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.2 t -174.74 163.04 3.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.88 106.05 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.95 37.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 m 63.38 166.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.971 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.1 t -89.65 95.51 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -130.88 104.03 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -124.96 143.37 50.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.27 159.01 14.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -93.03 136.46 33.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.35 -58.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -86.31 -119.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -111.14 101.43 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -105.12 132.38 51.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -104.98 143.64 32.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.816 ' CG ' HD21 ' A' ' 18' ' ' LEU . 3.4 ttt85 -92.47 101.49 13.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG21 HG12 ' A' ' 37' ' ' ILE . 78.9 t -94.53 106.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.524 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.08 130.65 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.56 148.42 50.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -75.85 -24.51 55.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.87 -178.95 33.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD21 ' CG ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -92.97 138.64 31.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 0.728 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' N ' HD13 ' A' ' 18' ' ' LEU . 28.8 mt-10 -143.21 167.27 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -129.17 147.74 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 HG13 ' A' ' 37' ' ' ILE . 72.1 t -137.43 151.42 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -102.0 132.44 47.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.95 -165.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.551 ' HB2' HG21 ' A' ' 28' ' ' ILE . 4.0 m-20 -109.25 -48.4 3.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.466 ' O ' HD11 ' A' ' 78' ' ' ILE . . . 168.76 -163.21 36.99 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.17 13.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.57 -18.37 11.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -87.39 147.84 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.3 p -104.35 166.28 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 34' ' ' LYS . 80.9 t -45.94 -38.9 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 p -55.09 -48.84 73.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.35 -33.27 72.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.641 HD12 HG21 ' A' ' 78' ' ' ILE . 2.0 tt -64.5 -59.05 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HE3' HD23 ' A' ' 50' ' ' LEU . 31.1 mttt -47.08 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 m -37.18 -56.8 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.2 mt -43.47 -67.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.866 HG13 HG21 ' A' ' 21' ' ' VAL . 1.4 mp -57.53 -52.39 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -42.02 -33.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -90.56 -65.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HG13 ' A' ' 21' ' ' VAL . 30.1 mt-30 -44.63 -54.72 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.703 ' HG ' HG23 ' A' ' 37' ' ' ILE . 8.9 mt -78.11 -22.25 49.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 69.86 55.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 44' ' ' PRO . 47.4 mt -132.73 142.94 46.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 127.45 10.71 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 34' ' ' LYS . 5.0 mt -50.0 -56.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.54 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ILE . 37.3 m-20 -92.99 -43.25 9.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.647 ' HG2' HG22 ' A' ' 43' ' ' ILE . 9.3 mt-30 -52.71 138.17 29.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.694 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 99.0 m -135.06 107.94 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.846 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.3 mm? -85.67 141.8 29.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.598 ' CB ' HD22 ' A' ' 56' ' ' LEU . 6.0 t -162.69 136.9 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.664 ' CG2' HD13 ' A' ' 81' ' ' LEU . 4.7 p -89.25 21.72 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -128.16 136.15 50.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -15.85 63.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' HA ' HD12 ' A' ' 58' ' ' LEU . 86.6 m-20 -60.86 -16.95 47.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 51' ' ' SER . 31.8 tp -60.5 -45.85 92.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.524 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 7.8 mp -64.61 -13.59 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ASN . 35.5 mt -86.08 -34.99 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -58.15 123.7 16.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -111.36 -29.39 7.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -98.97 172.45 4.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -74.99 -47.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.889 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -53.65 -34.4 58.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.559 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.3 t0 -63.68 -48.75 75.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.643 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 14.1 m-85 -62.52 -20.13 64.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 ' HA ' ' A' ' 63' ' ' SER . 73.8 mt -73.64 -10.61 59.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -28.39 54.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -100.62 120.34 39.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.9 p -149.53 41.54 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -38.91 46.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.688 ' HG2' HD11 ' A' ' 81' ' ' LEU . 22.0 mtp -121.44 48.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.81 -32.56 16.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.84 122.32 86.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -17.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.76 -0.42 57.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.632 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -83.39 141.06 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -92.51 156.67 17.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.641 HG21 HD12 ' A' ' 33' ' ' LEU . 7.4 pt -75.46 -9.89 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 p -68.19 -23.22 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.414 ' C ' HD23 ' A' ' 81' ' ' LEU . 12.7 t -60.93 -28.73 69.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.907 HD12 HD21 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -107.25 -23.44 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.58 54.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.907 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -79.43 100.63 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.85 172.55 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 7' ' ' GLY . 3.0 t-160 -60.03 110.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.35 -15.85 24.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.427 ' OG ' HD12 ' A' ' 83' ' ' LEU . 42.7 t -49.3 168.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.75 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.2 tpt -107.93 143.78 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 88' ' ' MET . 5.7 t -152.1 142.83 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' CD1' HD13 ' A' ' 57' ' ' LEU . 65.3 m-85 -115.5 131.96 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.87 140.78 48.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -138.54 121.03 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 6.4 p90 -140.15 161.33 37.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.7 pt-20 -101.95 145.2 29.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.89 173.98 16.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.46 -176.57 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -81.22 179.19 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 p -102.23 -170.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.43 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mt -89.8 132.82 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.1 164.53 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.24 158.5 23.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.6 t -160.49 93.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.6 157.36 29.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 117.39 4.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.46 1.768 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -174.31 114.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.4 m -100.72 88.01 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 0.0 111.042 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -122.94 -60.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.68 114.91 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.74 91.4 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -101.13 139.39 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -122.95 -63.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.12 -118.11 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -100.87 117.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.18 126.68 53.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.488 HD13 ' OG ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -106.67 131.79 53.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.9 ' HG2' HD11 ' A' ' 18' ' ' LEU . 3.1 ttt180 -87.81 99.17 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.968 HG22 ' CG1' ' A' ' 89' ' ' VAL . 38.4 t -98.9 145.13 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.703 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -117.16 127.85 54.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 p -122.79 158.64 29.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -54.76 -25.83 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.231 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -79.21 -24.51 43.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.38 173.39 14.91 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.9 HD11 ' HG2' ' A' ' 11' ' ' ARG . 9.0 tp -73.82 124.17 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -123.36 171.41 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 44.2 mmt-85 -112.65 158.65 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG11 HG13 ' A' ' 37' ' ' ILE . 40.2 t -154.02 146.15 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -101.83 132.0 47.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 24' ' ' ASP . 3.0 m -120.52 -164.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' HB2' HG21 ' A' ' 28' ' ' ILE . 3.5 m-20 -117.69 -43.87 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.83 -166.63 37.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.22 13.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.62 -18.28 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.598 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' CD2' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -86.5 159.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -118.05 165.25 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 71' ' ' MET . 82.6 t -44.63 -37.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.4 p -54.71 -51.81 64.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.91 -30.45 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 78' ' ' ILE . 1.8 tp -68.58 -68.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HD2' HG12 ' A' ' 30' ' ' VAL . 38.4 mttt -41.13 -46.03 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -54.75 -45.04 74.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.8 mt -57.29 -66.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.972 HG21 HD22 ' A' ' 91' ' ' LEU . 2.2 mp -54.39 -35.09 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -60.15 -32.59 71.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.92 -55.07 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.54 ' OE1' HG13 ' A' ' 21' ' ' VAL . 69.2 mt-30 -55.04 -56.37 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.835 ' HG ' HG23 ' A' ' 37' ' ' ILE . 6.1 mt -79.64 -9.27 59.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 57.81 53.37 7.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 44' ' ' PRO . 34.1 mt -128.13 142.74 45.49 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 129.31 12.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 47' ' ' ASN . 8.2 mt -49.72 -52.69 12.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -45.77 -24.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.9 m-20 -98.4 -43.51 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.807 ' OE1' HG22 ' A' ' 37' ' ' ILE . 18.3 mt-30 -54.41 137.97 41.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 91' ' ' LEU . 33.2 m -134.95 99.53 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 HD13 ' A' ' 91' ' ' LEU . 5.0 mt -86.26 140.67 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.466 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.3 t -162.17 153.63 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -98.58 34.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -145.2 143.12 30.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.43 HH11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.28 -31.52 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -50.53 -28.33 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -59.63 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.6 mt -79.98 -3.35 47.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.43 HD11 HH11 ' A' ' 54' ' ' ARG . 21.0 mt -95.72 -33.77 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -59.86 117.4 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -110.93 -27.68 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 164.59 28.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.749 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.92 -26.73 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.677 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -70.31 -48.61 55.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -53.24 -20.26 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 63' ' ' SER . 26.4 mt -74.43 -13.37 60.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.01 -19.51 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.3 m-85 -115.62 98.92 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.3 p -123.92 54.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.85 -26.61 13.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.815 ' O ' HG11 ' A' ' 30' ' ' VAL . 10.3 mmm -126.82 19.07 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.17 -27.41 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -72.23 119.51 75.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -18.1 19.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.17 5.48 51.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -88.17 137.9 31.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -97.78 144.15 27.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.465 HG21 HD22 ' A' ' 33' ' ' LEU . 16.9 pt -58.74 -18.37 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -65.93 -34.9 79.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -50.23 -27.44 5.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -106.37 -21.11 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' LEU . 20.7 t30 77.88 63.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 81' ' ' LEU . 65.3 mt -101.09 114.94 29.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -120.54 167.66 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -46.07 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 135.34 -28.61 3.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.553 ' HB2' HD22 ' A' ' 83' ' ' LEU . 15.6 p -46.55 160.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.3 tpt -109.31 146.26 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.968 ' CG1' HG22 ' A' ' 12' ' ' VAL . 8.0 p -152.57 152.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.699 ' HD1' HD11 ' A' ' 57' ' ' LEU . 86.4 m-85 -120.42 141.66 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HG21 ' A' ' 37' ' ' ILE . 14.2 tp -125.91 121.09 32.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 56' ' ' LEU . . . -121.47 120.09 33.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -132.52 156.05 47.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.89 133.75 35.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.32 -176.24 50.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.87 -177.43 6.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.357 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.413 ' CD ' ' O ' ' A' ' 41' ' ' LEU . 2.4 mtt85 -80.33 -163.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.8 p -122.68 -174.7 2.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.4 mt -81.2 140.62 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 164.56 4.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -122.89 92.11 0.46 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -61.52 164.15 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.41 80.03 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.57 2.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.0 p -97.11 119.74 36.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.1 p -72.21 134.89 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -169.57 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.01 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -73.25 141.34 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.48 -162.3 9.57 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.52 116.7 3.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -75.21 81.69 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.58 178.64 24.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.127 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.723 ' O ' HG22 ' A' ' 23' ' ' VAL . 12.0 m -102.03 106.25 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' A' ' 10' ' ' LEU . 4.6 ttp -88.23 141.62 28.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' MET . 13.8 mt -124.66 149.64 46.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HD3' HD21 ' A' ' 18' ' ' LEU . 7.7 mtt180 -108.46 101.32 10.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.988 HG12 ' CG1' ' A' ' 89' ' ' VAL . 9.0 m -94.01 154.79 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -116.19 124.52 50.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.7 p -118.6 171.88 7.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -67.43 -26.22 66.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -82.96 -21.4 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.72 -170.92 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.797 HD21 ' HD3' ' A' ' 11' ' ' ARG . 4.1 tp -83.57 126.82 33.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.0 mt-10 -121.18 149.24 43.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -118.54 155.17 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.602 HG13 ' CD ' ' A' ' 40' ' ' GLN . 44.8 t -153.59 145.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -92.41 134.67 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 8' ' ' THR . 10.3 m -124.41 -165.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -103.98 -58.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.63 -154.81 25.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 18.2 Cg_endo -75.01 -25.09 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.74 -18.09 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -94.75 160.41 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.488 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.3 p -111.0 169.37 8.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.664 HG12 ' HD2' ' A' ' 34' ' ' LYS . 24.9 t -51.21 -36.06 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -56.13 -51.97 66.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.51 -37.27 84.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.651 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.3 tt -58.22 -56.75 18.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HD2' HG12 ' A' ' 30' ' ' VAL . 27.1 mttt -52.89 -68.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.68 -50.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 36' ' ' LEU . 13.7 mt -51.12 -59.58 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.706 HG23 HD12 ' A' ' 41' ' ' LEU . 1.3 mt -64.81 -50.46 75.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -44.03 -32.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.4 -67.03 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.602 ' CD ' HG13 ' A' ' 21' ' ' VAL . 36.8 mt-30 -46.62 -52.68 13.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 37' ' ' ILE . 13.0 mt -77.2 -20.64 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 65.72 48.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 44' ' ' PRO . 55.8 mt -127.01 142.64 44.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 125.74 9.53 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 34' ' ' LYS . 8.3 mt -49.68 -56.63 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.58 -30.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' ILE . 22.5 m-20 -93.88 -43.58 8.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.654 ' HG2' HG22 ' A' ' 43' ' ' ILE . 10.7 mt-30 -50.78 144.4 8.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 31.5 m -135.08 104.34 5.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.536 HD23 ' CE ' ' A' ' 34' ' ' LYS . 1.7 mm? -87.48 125.07 34.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -158.34 141.31 14.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.2 p -89.95 34.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -135.64 145.88 47.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -80.52 -16.66 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.2 -25.56 67.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.615 HD22 ' CB ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -49.99 -46.04 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 13' ' ' ARG . 36.0 mt -56.25 -27.7 56.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.37 -47.22 43.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . . . -43.13 110.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -22.61 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.03 163.84 23.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -24.67 12.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.841 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -81.0 -31.99 34.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.423 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t0 -61.85 -46.81 87.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.13 -23.79 49.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 63' ' ' SER . 22.3 mt -73.98 -15.18 61.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.54 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 85.1 m-85 -96.07 101.12 12.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -121.63 34.44 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -38.15 70.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.679 ' CG ' HD11 ' A' ' 81' ' ' LEU . 47.2 mtp -132.2 45.56 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.52 -36.18 22.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.18 119.64 73.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -16.39 20.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.525 1.802 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -94.94 3.66 54.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -87.75 140.02 29.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.9 mpt_? -92.02 147.33 23.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.651 ' CG2' HD12 ' A' ' 33' ' ' LEU . 6.5 pt -60.56 -17.26 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.6 p -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -52.31 -29.45 23.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.88 HD12 HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -110.16 -19.36 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 t30 63.83 55.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -75.8 97.78 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 87' ' ' SER . . . -88.63 174.31 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 9' ' ' MET . 3.6 t-160 -64.2 96.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.13 -20.51 4.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 84' ' ' ALA . 63.7 m -45.83 164.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 0.726 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 1.8 tpt -114.71 145.08 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.988 ' CG1' HG12 ' A' ' 12' ' ' VAL . 9.7 p -153.39 159.21 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.5 m-85 -125.08 131.52 53.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 48' ' ' GLN . 34.2 tp -112.24 111.67 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.615 ' CB ' HD22 ' A' ' 56' ' ' LEU . . . -116.23 120.11 37.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -132.31 175.22 9.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HG2' ' ND2' ' A' ' 47' ' ' ASN . 4.9 pt-20 -115.58 138.21 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.36 -173.51 53.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.71 -177.29 5.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -84.51 161.45 20.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 p -80.29 -168.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.0 mt -100.83 122.04 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 152.64 6.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.54 167.42 18.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 t -132.73 121.09 22.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.23 126.75 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.06 122.88 17.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 t -76.84 133.25 39.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -89.25 -51.04 5.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 p -134.15 -53.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.04 157.98 8.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -70.4 143.47 51.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -125.93 163.71 22.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . 129.03 -78.47 0.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 m -118.79 114.38 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.444 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.477 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.1 ttp -112.35 131.48 55.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 9' ' ' MET . 0.3 OUTLIER -113.22 128.14 56.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.708 ' HG2' HD11 ' A' ' 18' ' ' LEU . 2.6 ttt180 -80.62 118.39 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 69.8 t -114.19 108.56 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.669 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -83.98 125.86 32.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -116.26 161.93 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -65.73 -17.14 64.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.9 -13.59 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.09 -154.87 25.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.708 HD11 ' HG2' ' A' ' 11' ' ' ARG . 2.4 tp -110.07 129.64 55.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -132.37 158.49 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.16 143.0 51.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.797 HG21 HG13 ' A' ' 37' ' ' ILE . 48.9 t -131.46 147.49 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -98.52 132.64 43.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 m -117.18 -165.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 28' ' ' ILE . 52.8 m-20 -108.1 -42.35 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 161.2 -164.06 34.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -24.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -55.7 -18.36 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.569 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.525 HG21 ' HB2' ' A' ' 24' ' ' ASP . 1.3 pp -86.82 163.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -118.75 169.91 9.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 34' ' ' LYS . 56.0 t -49.09 -38.43 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -53.66 -50.32 66.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -70.14 -38.5 75.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 37' ' ' ILE . 7.5 tp -57.9 -56.29 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 30' ' ' VAL . 53.2 mttt -53.41 -68.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LYS . 16.2 m -34.63 -50.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.65 -60.17 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.797 HG13 HG21 ' A' ' 21' ' ' VAL . 2.9 mp -64.36 -49.5 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -46.14 -31.72 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 1.6 t0 -90.77 -64.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.574 ' NE2' HG13 ' A' ' 21' ' ' VAL . 30.9 mt-30 -46.95 -55.67 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 37' ' ' ILE . 9.6 mt -77.81 -17.78 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 64.98 55.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 93' ' ' TYR . 17.9 mt -131.56 141.97 43.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.95 129.17 12.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 2.2 mt -47.22 -59.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -38.9 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 18.8 m-20 -92.37 -45.79 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.708 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.5 mt-30 -50.58 140.48 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 47.9 m -133.73 113.53 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.5 mm? -94.42 130.68 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -162.53 147.81 12.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.0 p -103.03 36.5 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 10.4 t-20 -134.85 141.75 46.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -21.26 61.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -58.57 -17.0 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -58.66 -44.05 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 13' ' ' ARG . 15.5 mt -63.72 -24.29 67.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.37 -47.76 39.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -47.21 119.29 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -111.16 -28.76 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -99.04 174.54 3.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.2 Cg_endo -75.01 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.88 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -54.76 -39.38 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.531 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 6.1 t0 -59.73 -45.77 91.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.636 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 11.4 m-85 -63.63 -25.52 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 63' ' ' SER . 62.1 mt -68.33 -16.33 63.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.5 -33.78 69.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -93.74 111.39 23.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.6 p -140.67 47.76 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.54 -42.46 20.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.875 ' HG2' HD11 ' A' ' 81' ' ' LEU . 29.5 mtp -119.67 56.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.74 -24.1 16.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -78.3 121.24 83.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.51 19.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -96.01 9.96 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.567 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -92.63 143.25 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 151.58 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.471 HG21 HD22 ' A' ' 33' ' ' LEU . 9.3 pt -68.59 -24.64 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -21.93 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -63.19 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD11 ' HG2' ' A' ' 71' ' ' MET . 1.6 mt -93.22 -3.35 53.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 61.88 65.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.3 mt -101.05 128.8 46.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -123.95 175.96 6.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CD2' ' H ' ' A' ' 9' ' ' MET . 9.8 t-160 -67.13 71.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . 147.51 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.3 m -112.19 167.34 10.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.449 ' C ' HG23 ' A' ' 89' ' ' VAL . 3.3 tpt -105.93 143.71 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 88' ' ' MET . 75.4 t -154.2 152.05 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 86.1 m-85 -120.13 128.3 53.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 15.8 tp -113.09 119.44 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.636 ' HB1' ' CE1' ' A' ' 65' ' ' PHE . . . -119.59 122.57 41.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.666 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.4 p90 -137.55 168.05 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 5.4 pt-20 -116.11 150.51 37.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 96' ' ' GLU . . . 70.07 25.43 75.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 95' ' ' GLY . 10.1 pt-20 44.1 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.259 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.92 -166.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -122.08 -168.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.6 mp -80.77 145.02 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 153.04 47.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -111.69 -145.47 9.97 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.0 p -134.05 164.96 26.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.28 176.16 21.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.27 42.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -178.81 128.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.7 p -96.23 142.38 28.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -148.28 -58.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -173.91 164.29 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 -104.02 0.18 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.37 157.43 20.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -124.59 134.13 53.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.89 -96.76 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 23' ' ' VAL . 92.3 m -131.03 128.05 39.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ttp -98.52 136.84 38.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' OG ' ' A' ' 87' ' ' SER . 41.5 mt -119.12 158.64 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -111.9 105.25 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.5 m -93.31 155.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.872 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -124.69 122.77 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.7 p -117.83 170.55 8.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -72.02 -15.08 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.46 -24.02 19.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.53 168.43 16.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 tp -72.82 122.73 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.742 ' O ' HG22 ' A' ' 12' ' ' VAL . 21.6 mt-10 -118.89 153.2 34.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -118.52 145.89 44.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG21 ' CG1' ' A' ' 37' ' ' ILE . 59.6 t -137.23 145.91 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 t -98.09 131.3 44.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 8' ' ' THR . 7.5 m -129.08 -167.86 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' C ' ' NE2' ' A' ' 27' ' ' HIS . 1.6 m-20 -103.04 -45.0 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.415 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 158.68 -149.85 20.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -31.96 5.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -45.54 -24.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -91.53 152.83 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.808 HG22 ' HG3' ' A' ' 77' ' ' ARG . 58.1 p -110.4 168.96 9.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.94 HG12 ' HD2' ' A' ' 34' ' ' LYS . 72.1 t -48.61 -38.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -55.73 -53.01 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.02 -31.12 71.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD22 HG21 ' A' ' 78' ' ' ILE . 6.6 tp -67.8 -58.08 5.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.94 ' HD2' HG12 ' A' ' 30' ' ' VAL . 31.8 mttt -49.49 -47.4 48.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -52.2 -39.7 60.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.7 mt -64.42 -69.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.866 ' CG1' HG21 ' A' ' 21' ' ' VAL . 3.1 mt -54.9 -19.85 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.561 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -74.15 -33.98 63.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.74 -40.6 10.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.604 ' CD ' HG13 ' A' ' 21' ' ' VAL . 27.6 mt-30 -65.34 -60.61 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD22 ' OE2' ' A' ' 19' ' ' GLU . 15.4 mt -80.7 -2.28 46.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 52.71 51.73 15.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.809 HG23 ' HD2' ' A' ' 44' ' ' PRO . 70.1 mt -123.62 144.42 44.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.809 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 133.95 17.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 34' ' ' LYS . 7.3 mt -55.77 -58.39 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -39.36 -29.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' ILE . 18.5 m-20 -91.11 -45.78 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' A' ' 43' ' ' ILE . 22.0 mt-30 -47.62 137.14 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.576 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 24.3 m -135.52 106.09 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.2 mm? -85.12 136.92 33.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 56' ' ' LEU . 3.7 t -159.45 128.24 5.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.497 HG21 ' HG ' ' A' ' 81' ' ' LEU . 22.6 p -88.48 38.07 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -145.39 126.61 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -58.33 -20.52 44.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB3' HD23 ' A' ' 58' ' ' LEU . 17.2 m-20 -55.78 -22.96 27.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -52.54 -47.57 66.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 13' ' ' ARG . 20.8 mt -64.3 -20.53 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.48 -31.84 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -66.31 120.78 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -112.33 -28.6 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -84.65 157.5 60.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.11 19.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -84.88 -31.62 23.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.644 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 8.0 t0 -66.03 -44.95 83.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 92' ' ' ALA . 7.0 m-85 -53.6 -22.68 9.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' THR . 9.3 mt -80.24 -18.37 49.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' ASP . . . -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' HE2' ' HB2' ' A' ' 59' ' ' ALA . 71.1 m-85 -98.42 94.92 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 66' ' ' LEU . 76.8 p -120.32 44.95 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.73 -31.35 19.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' HD22 ' A' ' 76' ' ' LEU . 92.4 mtp -128.38 37.16 4.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.3 -30.47 16.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.83 123.86 88.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.1 18.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.83 1.21 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.633 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -85.16 145.73 27.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.808 ' HG3' HG22 ' A' ' 29' ' ' THR . 4.8 mpt_? -104.79 151.17 24.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.54 HG21 HD22 ' A' ' 33' ' ' LEU . 5.3 pt -67.34 -9.66 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 t -67.08 -25.14 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -63.61 -27.74 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.721 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -95.79 -22.31 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 74.36 33.19 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.509 HD23 ' HB ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -58.54 101.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.49 171.69 9.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -58.52 100.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.07 24.27 7.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.461 ' OG ' HD22 ' A' ' 10' ' ' LEU . 65.3 p -72.72 -175.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.445 ' C ' HG23 ' A' ' 89' ' ' VAL . 4.7 tpt -123.02 142.03 51.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' ARG . 83.1 t -154.35 160.87 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 96.7 m-85 -126.42 132.81 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' ILE . 24.7 tp -111.79 117.23 32.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.356 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -117.69 125.42 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 93' ' ' TYR . 3.6 p90 -143.75 171.8 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.64 136.42 52.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.61 176.5 49.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.31 -175.84 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -85.66 165.02 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.1 p -81.09 -167.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.13 146.83 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -119.39 150.82 39.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.79 172.45 13.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.6 t 64.19 135.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.28 -146.52 16.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.62 13.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.3 p -110.47 -58.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.94 142.22 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.66 152.65 18.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 0.745 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -83.45 107.28 15.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.31 110.38 0.98 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -101.65 120.57 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -93.8 134.63 35.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.35 91.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 23' ' ' VAL . 61.8 m -82.3 110.67 17.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -79.81 148.91 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.3 mt -134.07 166.31 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -108.78 111.86 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.66 100.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.891 ' HG2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -80.02 123.2 27.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 p -121.34 155.43 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -55.27 -22.71 19.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -39.29 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.58 168.67 29.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -75.78 103.62 5.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -105.19 160.44 15.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -121.88 152.75 39.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.876 HG13 ' CD ' ' A' ' 40' ' ' GLN . 47.8 t -150.51 146.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -91.78 145.35 24.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 8' ' ' THR . 14.3 m -132.91 -165.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 1.4 m-20 -103.2 -62.36 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 171.61 -158.01 28.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.44 12.77 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.548 1.815 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.84 -17.62 9.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.589 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -93.31 166.62 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -120.6 165.76 14.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.1 t -45.13 -36.44 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -55.41 -56.83 15.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.02 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 7.8 tp -64.76 -51.15 63.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.829 ' HE3' HD23 ' A' ' 50' ' ' LEU . 27.8 mttt -55.18 -68.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.4 m -33.75 -46.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 14.0 mt -55.15 -70.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.729 HG22 ' OE1' ' A' ' 48' ' ' GLN . 2.1 mp -55.84 -41.25 65.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.63 -33.52 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.86 -58.76 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.876 ' CD ' HG13 ' A' ' 21' ' ' VAL . 29.2 mt-30 -50.3 -55.49 15.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.703 ' CG ' HG23 ' A' ' 37' ' ' ILE . 11.0 mt -79.27 -16.0 57.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 64.81 53.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 93' ' ' TYR . 29.0 mt -128.98 141.97 43.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.99 130.6 13.43 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' C ' ' N ' ' A' ' 47' ' ' ASN . 2.3 mt -48.29 -58.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.17 -30.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 44' ' ' PRO . 29.5 m-20 -92.2 -45.01 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.729 ' OE1' HG22 ' A' ' 37' ' ' ILE . 13.8 mt-30 -54.17 137.7 40.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.488 ' H ' HD12 ' A' ' 91' ' ' LEU . 23.1 m -134.59 114.97 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.829 HD23 ' HE3' ' A' ' 34' ' ' LYS . 2.4 mm? -91.95 135.38 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.479 ' CB ' ' HG ' ' A' ' 56' ' ' LEU . 41.6 t -163.02 153.42 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' HD13 ' A' ' 81' ' ' LEU . 1.2 p -102.93 33.62 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.2 146.82 39.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -79.52 -18.42 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HA ' ' CD1' ' A' ' 58' ' ' LEU . 60.3 m-20 -66.39 -15.86 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -64.23 -43.98 93.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.891 HD11 ' HG2' ' A' ' 13' ' ' ARG . 33.3 mt -55.44 -20.68 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 12.5 mt -74.99 -46.32 36.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 64' ' ' ASP . . . -49.19 110.77 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.84 -24.95 10.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 p -92.65 155.0 42.33 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -95.44 -23.54 17.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.54 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 t0 -81.69 -42.9 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.504 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 14.6 m-85 -54.88 -18.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.49 -14.46 59.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.47 60.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 56' ' ' LEU . 29.2 m-85 -103.52 101.1 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 p -123.75 60.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.51 -28.6 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.802 ' SD ' HD11 ' A' ' 81' ' ' LEU . 33.1 mmm -129.69 33.57 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.12 -45.03 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -56.78 120.14 35.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.14 18.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -89.49 -6.99 55.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.581 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -76.36 141.02 41.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -98.9 152.22 20.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -64.35 -14.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -63.43 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.4 t -61.52 -34.2 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.802 HD11 ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -104.64 -12.04 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.6 m120 62.22 69.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 89' ' ' VAL . 63.7 mt -101.24 122.6 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.45 173.49 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -50.59 110.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.48 -26.52 9.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 m -48.28 169.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 13' ' ' ARG . 8.1 tpt -121.34 144.5 48.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 83' ' ' LEU . 97.2 t -154.2 156.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.492 ' HD1' HD11 ' A' ' 57' ' ' LEU . 87.5 m-85 -118.6 159.93 22.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 37' ' ' ILE . 22.2 tp -145.25 121.13 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.67 ' CB ' HD13 ' A' ' 56' ' ' LEU . . . -122.67 119.93 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.661 ' CD2' HD13 ' A' ' 43' ' ' ILE . 3.8 p90 -134.55 177.0 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.5 pt-20 -123.06 158.38 30.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 96' ' ' GLU . . . 64.04 30.24 77.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 95' ' ' GLY . 3.2 pt-20 39.98 -160.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -82.32 165.55 20.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -83.31 -167.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.7 152.0 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.3 155.69 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.63 141.0 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -178.59 125.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -110.88 154.83 16.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.21 37.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.9 p -156.54 114.52 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.8 p -60.56 137.97 58.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -75.11 147.58 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -106.32 93.23 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.71 69.84 1.08 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -78.37 154.14 31.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 t -124.04 -57.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.35 -127.2 41.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -129.49 112.64 13.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 9' ' ' MET . 12.2 tmm? -96.11 139.08 32.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 mt -122.98 157.92 31.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.64 110.17 22.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -105.53 97.95 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' NH1' ' CD2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 p -123.34 154.25 39.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.61 -36.26 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.28 -33.7 74.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.6 -172.77 37.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 19' ' ' GLU . 2.2 tm? -90.85 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.713 ' N ' HD13 ' A' ' 18' ' ' LEU . 13.2 mt-10 -138.23 157.15 46.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -116.24 141.94 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HG13 ' A' ' 37' ' ' ILE . 99.6 t -134.62 147.49 29.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -98.39 132.25 44.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 m -125.38 -167.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . 3.0 m-20 -104.89 -64.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' CG1' ' A' ' 28' ' ' ILE . . . 177.05 -155.32 17.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.581 1.176 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -24.69 12.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.796 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -56.43 -17.92 9.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -92.38 161.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 77' ' ' ARG . 72.1 p -116.58 171.46 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.793 HG12 ' HD2' ' A' ' 34' ' ' LYS . 67.5 t -50.07 -37.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -54.46 -54.42 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -66.01 -30.59 71.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 78' ' ' ILE . 1.8 tt -65.61 -54.93 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.793 ' HD2' HG12 ' A' ' 30' ' ' VAL . 35.6 mttt -55.71 -65.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' LYS . 1.5 m -36.06 -44.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.56 -70.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.828 HG13 HG21 ' A' ' 21' ' ' VAL . 1.5 mp -54.01 -37.79 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.87 -32.2 67.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.98 -54.64 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.562 ' CD ' HG13 ' A' ' 21' ' ' VAL . 22.1 mt-30 -55.3 -55.26 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 37' ' ' ILE . 15.3 mt -79.31 -14.46 58.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 63.01 55.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.251 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 44' ' ' PRO . 45.5 mt -132.18 142.73 46.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.05 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . 6.5 mt -48.99 -57.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -39.27 -29.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ILE . 23.8 m-20 -94.24 -42.74 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.637 ' OE1' HG22 ' A' ' 37' ' ' ILE . 10.4 mt-30 -51.48 142.26 14.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.533 ' HB ' ' HB3' ' A' ' 92' ' ' ALA . 18.0 m -134.82 105.33 6.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD23 ' CG ' ' A' ' 34' ' ' LYS . 2.1 mm? -89.12 130.85 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.405 ' HB3' HD22 ' A' ' 56' ' ' LEU . 6.3 t -161.43 139.64 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.749 ' CG2' HD13 ' A' ' 81' ' ' LEU . 17.9 p -88.9 35.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 134.37 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -74.81 -13.53 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -71.39 -9.28 57.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 49' ' ' THR . 12.4 tp -62.87 -46.69 86.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.512 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 9.9 mp -55.43 -21.06 14.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.75 -36.87 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.657 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . . . -53.85 120.85 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.6 -32.12 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -97.68 175.05 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -74.08 -32.02 63.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -74.78 -20.75 59.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.657 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 12.5 m-85 -90.24 -34.33 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.68 -28.55 66.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' N ' HD12 ' A' ' 66' ' ' LEU . . . -57.34 -20.82 31.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.85 97.18 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 22.6 p -121.91 68.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -98.99 -40.57 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.619 ' CG ' HD11 ' A' ' 81' ' ' LEU . 56.9 mtp -122.72 42.25 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.68 -41.03 24.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.15 119.09 49.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.33 19.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -94.45 7.93 43.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -89.89 140.99 29.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.542 ' HG3' HG22 ' A' ' 29' ' ' THR . 1.1 mpp_? -92.29 151.48 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.65 ' CG2' HD12 ' A' ' 33' ' ' LEU . 4.9 pt -64.32 -17.84 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -63.54 -24.97 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -53.4 -36.36 61.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.765 HD12 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -106.75 -11.59 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 60.79 69.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.765 HD21 HD12 ' A' ' 81' ' ' LEU . 2.4 mm? -91.07 104.07 16.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.31 172.95 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.613 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.5 -22.32 22.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -44.98 168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 2.1 tpt -111.98 145.06 40.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 88' ' ' MET . 61.7 t -151.69 150.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 94.6 m-85 -123.32 138.83 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 37' ' ' ILE . 14.0 tp -122.69 151.24 41.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.533 ' HB3' ' HB ' ' A' ' 49' ' ' THR . . . -150.35 131.87 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -143.35 160.08 41.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 95' ' ' GLY . 0.7 OUTLIER -98.98 136.31 39.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 94' ' ' GLU . . . 90.31 -127.19 8.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.76 -175.15 4.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -80.47 167.13 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 p -94.33 -169.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.09 138.69 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.81 144.16 55.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.52 -171.66 44.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 t -146.63 -61.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.84 173.33 18.75 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.07 37.47 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.9 t -89.21 159.23 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.3 p -106.56 139.36 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.979 -179.985 . . . . . . . . 0 0 . 1 stop_ save_